5-HEPTYN-3-OL(19781-82-9) IR1
Molecular FormulaC7H12O
Molecular Weight112.17
InChIInChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h7-8H,4,6H2,1-2H3
InChIKey VOHBMHAELZLACG-UHFFFAOYSA-N
SmilesCCC(O)CC#CC
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Assign. Shift(ppm)
A 3.62
B 2.31
C 2.15
D 1.804
E 1.55
F 0.96
Spectral Code: 1H NMR : 90 MHz in CDCl3
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Spectral Code: IR : liquid film