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(S)-2-Methylpent-4-en-1-ol
SpectraBase Compound ID 10bd0tF94LC
InChI InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKey CTHUAOGQNZSMMC-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 4D5PWOTcbQ
Name (S)-2-Methylpent-4-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-4-6(2)5-7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1
InChIKey CTHUAOGQNZSMMC-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]D21.6 = -2.14 (c = 1.12, CHCl3)
SMILES OC[C@@](C)(CC=C)[H]
SPLASH splash10-066u-9000000000-b1fa59700db3e890e5ab
Source of Spectrum G4-76-SM13-22
Thin-Layer Chromatography Rf = 0.3 (pentane/Et2O, 3:1)
Wiley ID 1865728