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(S)-Hex-5-en-2-ol
SpectraBase Compound ID JLLL7rCruoo
InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKey LNPNXWKVAFKIBX-LURJTMIESA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mb83GYnBf2
Name (S)-Hex-5-en-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKey LNPNXWKVAFKIBX-LURJTMIESA-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 100.161 g/mol
Optical Rotation [a]D24.2 = +17.3 (c = 2.9, CH2Cl2)
SMILES O[C@](CCC=C)(C)[H]
SPLASH splash10-014l-9000000000-342f24829997a6e9f93c
Source of Spectrum G4-76-SM15-33
Thin-Layer Chromatography Rf = 0.2 (pentane/tert-butyl methyl ether, 5:1)
Wiley ID 1865733