1-HEPTYN-3-OL(7383-19-9) Raman
Molecular FormulaC7H12O
Molecular Weight112.17
InChIInChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3
InChIKey SHSFXAVQBIEYMK-UHFFFAOYSA-N
SmilesC#CC(O)CCCC
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Assign. Shift(ppm)
A 4.364
B 2.463
C 2.38
D 1.69
E 1.64 to 1.11
F 0.92
Spectral Code: 1H NMR : 90 MHz in CDCl3
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Spectral Code: Raman : 4880 A,200 M,liquid