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31st May 2013 @ 16:31

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Compound

CSID 28605365
*#Compound mol file
jstec_4_82d.mol

Description and Tags

Description Compound 4.82d in J. Stec's thesis
Tags (separated by comma)  

Identifiers

*Chemical Name rac-3-Hexyl-2-methyltridec-4-yn-2-ol
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Synonym  

Spectra

  *#Spectrum jcamp file *Spectrum Type Comments OpenData Image or PDF
Spectrum 1
nv1707jst2.010.001.jdx
HNMR 1H NMR (400 MHz, CDCl3): δ (ppm) = 2.34 (1H, m, H4), 2.20 (2H, td, J = 7.0, 2.0 Hz, H1), 1.97 (1H, br s, OH), 1.61 (1H, m), 1.54 – 1.47 (3H, m), 1.41 – 1.26 (18H, m), 1.25 (3H, s, H6/7), 1.24 (3H, s, H6/7), 0.90 (3H, t, J = 6.8 Hz, H13/20), 0.89 (3H, t, J = 6.8 Hz, H13/20) Y
nv1707jst2.010.001.jdx
Spectrum 2
nv1707jst2.011.001.jdx
CNMR 13C NMR (100.5 MHz, CDCl3): δ (ppm) = 84.33 (C2), 80.35 (C3), 71.98 (C5), 45.34 (CH4), 31.81 (2CH2), 30.07 (CH2), 29.21 (CH2), 29.14 (CH2), 29.07 (2CH2), 28.84 (CH2), 28.36 (CH2), 27.01 (CH36/7), 26.24 (CH36/7), 22.63 (2CH2), 18.70 (CH21), 14.06  (2CH313 + 20) Y
nv1707jst2.011.001.JPG
Spectrum 3
nv1707jst2.012.001.jdx
CNMR 13C NMR (100.5 MHz, CDCl3): δ (ppm) = 84.33 (C2), 80.35 (C3), 71.98 (C5), 45.34 (CH4), 31.81 (2CH2), 30.07 (CH2), 29.21 (CH2), 29.14 (CH2), 29.07 (2CH2), 28.84 (CH2), 28.36 (CH2), 27.01 (CH36/7), 26.24 (CH36/7), 22.63 (2CH2), 18.70 (CH21), 14.06  (2CH313 + 20) Y
nv1707jst2.012.001.JPG
Spectrum 4
nv1707jst2.013.001.jdx
CNMR 13C NMR (100.5 MHz, CDCl3): δ (ppm) = 84.33 (C2), 80.35 (C3), 71.98 (C5), 45.34 (CH4), 31.81 (2CH2), 30.07 (CH2), 29.21 (CH2), 29.14 (CH2), 29.07 (2CH2), 28.84 (CH2), 28.36 (CH2), 27.01 (CH36/7), 26.24 (CH36/7), 22.63 (2CH2), 18.70 (CH21), 14.06  (2CH313 + 20) Y
nv1707jst2.013.001.JPG
Spectrum 5   Electron Impact HRMS (EI): Found: [M – CH3]+, 279.2694. [C19H35O]+ requires: 279.2688 Y  
Spectrum 6   Chemical Ionization +ve LRMS (CI): m/z: 294 ([M]+, 26%), 277 ([M – H2O + H]+, 100 %) Y  
Spectrum 7   Chemical Ionization +ve LRMS (CI): m/z: 294 ([M]+, 26%), 277 ([M – H2O + H]+, 100 %) Y  
Spectrum 8   2D NMR 1H-13C Long-range correlation   Y
hmbc
 

Properties

Experimental Physico-chemical Properties

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Spectroscopy

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Miscellaneous

Property Value Unit Comments
Appearance yellow oil    
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Linked Posts
Attached Files
jstec_4_82d.mol
hmbc
nv1707jst2.010.001.jdx
nv1707jst2.010.001.jdx
nv1707jst2.011.001.JPG
nv1707jst2.011.001.jdx
nv1707jst2.012.001.jdx
nv1707jst2.012.001.JPG
nv1707jst2.013.001.jdx
nv1707jst2.013.001.JPG