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Characterization Template - Proton NMR
ChemSpider compound and associated data template
ChemSpider Reactions template
ChemSpider SyntheticPages style reaction template
- August 2013 (212)
- July 2013 (495)
- June 2013 (331)
- May 2013 (2)
- April 2013 (9)
- 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)
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Compound
| ChemSpider ID | 29303492 |
| *#Name of Compound mol file | Structure_127a.mol |
Description and Tags
| Description | Compound 127a in A.Henderson's thesis |
| Tags (separated by comma) |
Identifiers
| *Chemical Name | (2E,3Z)-2,3-Bis(1-iodopentylidene)-1-tosylpyrrolidine |
| Common Name | |
| Synonym |
Spectra
| *#Spectrum jcamp file | *Spectrum Type | Comments | OpenData | Image or PDF | |
| Spectrum 1 | HNMR_127a.jdx |
HNMR |
1H NMR: dH (300 MHz, CDCl3) 7.79 (2H, d, J 8.1 Hz, H-16), 7.29 (2H, d, J 8.1 Hz, H-17), 3.72–3.34 (2H, m, H-4), 3.05–2.89 (2H, m), 2.42 (3H, s, H-19), 2.30–2.05 (4H, m), 1.70–1.53 (2H, m), 1.51–1.34 (2H, m), 1.33–1.02 (4H, m), 0.97 (3H, t, J 7.3 Hz, H-9 or H-14), 0.83 (3H, t, J 7.3 Hz, H-9 or H-14) |
Y | HNMR_127a.pdf |
| Spectrum 2 | CNMR_127a.jdx |
CNMR |
13C NMR: dC(75 MHz, CDCl3) 143.77 (C), 139.49 (C), 139.06 (C), 134.52 (C), 129.64 (2 × CH), 128.82 (2 × CH), 111.01 (C), 104.18 (C), 46.19 (CH2), 43.05 (CH2), 41.72 (CH2), 32.08 (CH2), 30.80 (CH2), 27.11 (CH2), 21.85 (CH2), 21.57 (CH2), 21.52 (CH3, C-19), 14.04 (CH3), 14.00 (CH3) |
Y | CNMR_127a.pdf |
| Spectrum 3 | CDEPT135NMR_127a.jdx |
CNMR | Y | CDEPT135NMR_127a.pdf |
|
| Spectrum 4 | ESI+ mass spectrum |
LRMS: (ES+) m/z 636.2 ([M+Na]+) |
Y | LRMS.gif |
|
| Spectrum 5 | ESI+ mass spectrum |
HRMS: (ES+) Calculated for C21H29I2NNaO2S: 635.9901 Da, found: 635.9899 Da |
Y | HRMS.gif |
|
| Spectrum 6 | Infrared |
IR: nmax (neat)/cm−1 2956 (w), 2928 (w), 2859 (w), 1597 (w), 1161 (s), 727 (s) |
Y | IR.gif |
|
| Spectrum 7 | |||||
| Spectrum 8 | |||||
| Spectrum 9 | |||||
| Spectrum 10 |
Properties
Experimental Physico-chemical Properties
| Property | Value | Unit | Comments |
| Experimental Boiling Point | |||
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| 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 | |||
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| Exposure Limits Niosh Rel | |||
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