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(3S)-3-Methylhex-5-en-2-ol
SpectraBase Compound ID 7Nd00vOLwih
InChI InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7?/m0/s1
InChIKey KSXVDBSINBXKGA-PKPIPKONSA-N
Mol Weight 114.19 g/mol
Molecular Formula C7H14O
Exact Mass 114.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qd2xVnDsuD
Name (3S)-3-Methylhex-5-en-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H14O
InChI InChI=1S/C7H14O/c1-4-5-6(2)7(3)8/h4,6-8H,1,5H2,2-3H3/t6-,7?/m0/s1
InChIKey KSXVDBSINBXKGA-PKPIPKONSA-N
Instrument Name HP 6890 GC-5973 MSD/Agilent Technologies GC 7890A-5975C MSD
Ionization Type EI
Literature Reference DOI 10.1021/np400131q
Molecular Weight 114.188 g/mol
Optical Rotation [a]D26.4 = -2.9 (c = 3.2, CH2Cl2)
SMILES OC([C@@](C)(CC=C)[H])C
SPLASH splash10-052e-9000000000-35fd52ae34e13fefb717
Source of Spectrum G4-76-SM13-23
Thin-Layer Chromatography Rf = 0.28 (pentane/Et2O, 5:1)
Wiley ID 1865729