This Entry
PermalinkURI
URI Label
Revisions
Add to List
Edit Entry
Export:
XML
Templates
Characterization Template - Accurate MSCharacterization Template - Proton NMR
ChemSpider compound and associated data template
ChemSpider Reactions template
ChemSpider SyntheticPages style reaction template
Archives
- August 2013 (212)
- July 2013 (495)
- June 2013 (331)
- May 2013 (2)
- April 2013 (9)
Authors
Sections
- 1 (6)
- A.Henderson (226)
- L. Sayer (48)
- Templates (5)
- D. Owen (249)
- D.Macfarlane (91)
- F. Giustiniano (148)
- ForChemSpider (70)
- ForCSSP (35)
- G. Saluste (54)
- Help (7)
- J. Stec (110)
Tools
Show/Hide QR CodeShow/Hide Keys
This post is compatible for submission to ChemSpider.
See ChemSpider compound and associated data template - help and further information for help when using it.
Compound
ChemSpider ID | 28681668 |
*#Name of Compound mol file | Trimethyl(2-(4-(methylthio)phenyl)ethynyl)silane .mol |
Description and Tags
Description | |
Tags (separated by comma) |
Identifiers
*Chemical Name | Trimethyl(2-(4-(methylthio)phenyl)ethynyl)silane |
Common Name | |
Synonym |
Spectra
*#Spectrum jcamp file | *Spectrum Type | Comments | OpenData | Image or PDF | |
Spectrum 1 | H NMR 21 - au1006fg2 .jdx |
H NMR | 1H NMR (300 MHz, CDCl3): δ 7.37 (2H, d, J = 8.6, Ar), 7.15 (2H, d, J = 8.6, Ar), 2.47 (3H, s, SMe), 0.24 (9H, s, TMS) | Y | H NMR 21 .pdf |
Spectrum 2 | C NMR 21 - au1006fg2 .jdx |
C NMR | 13C NMR (75 MHz, CDCl3): δ 139.75 (C, ArS), 132.38, 125.88 (2CH, Ar), 119.61 (C, ArCC), 105.04 (C, ArCC), 94.32 (C, CCSi), 15.52 (CH3, MeS), 0.17 (CH3, TMS) | Y | C NMR 21 .pdf |
Spectrum 3 | C NMR DEPT135 21 - au1006fg2 .jdx |
C NMR | DEPT 135 | Y | C NMR DEPT 135 - 21 .pdf |
Spectrum 4 | Electron Impact | LRMS (EI): m/z 220 ([M+], 56%), 205 ([M-CH3]-, 58), 190 ([205-CH3]-, 58), 103 ([PhCH2CH2]+, 58) | Y | 21 EI.JPG |
|
Spectrum 5 | Infrared | IR (film): 2958, 2921, 2897 (w, CH stretch), 2155 (m, CC stretch, alkyne) | Y | 21 IR.JPG |
|
Spectrum 6 | |||||
Spectrum 7 | |||||
Spectrum 8 | |||||
Spectrum 9 | |||||
Spectrum 10 |
Properties
Experimental Physico-chemical Properties
Property | Value | Unit | Comments |
Experimental Boiling Point | |||
Experimental Flash Point | |||
Experimental Freezing Point | |||
Experimental Gravity | |||
Experimental Ionization Potent | |||
Experimental LogP | |||
Experimental Melting Point | |||
Experimental Optical Rotation | |||
Experimental Refraction Index | |||
Experimental Solubility | |||
Experimental Vapor Pressure | |||
Non Water Solubility | |||
Non Water Solubility |
Spectroscopy
Property | Value | Unit | Comments |
Lambda Max |
Miscellaneous
Property | Value | Unit | Comments |
Appearance | orange oil | ||
Bio Activity | |||
Chemical Class | |||
Compound Source | |||
Drug Status | |||
Exposure Limits | |||
Exposure Limits Niosh Rel | |||
Exposure Routes | |||
First-Aid | |||
Incompatability | |||
Personal Protection | |||
Safety | |||
Stability | |||
Symptoms | |||
Target Organs | |||
Therapeutical Effect | |||
Toxicity |
Attached Files
Trimethyl(2-(4-(methylthio)phenyl)ethynyl)silane .mol
C NMR 21 - au1006fg2 .jdx
C NMR 21 .pdf
C NMR DEPT 135 - 21 .pdf
C NMR DEPT135 21 - au1006fg2 .jdx
H NMR 21 - au1006fg2 .jdx
H NMR 21 .pdf
21 IR.JPG
21 EI.JPG