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(S)-2-Methylhexan-1-ol
SpectraBase Compound ID Fd9yu7TzJQh
InChI InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKey LCFKURIJYIJNRU-ZETCQYMHSA-N
Mol Weight 116.2 g/mol
Molecular Formula C7H16O
Exact Mass 116.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIqOOeh6lsj
Name (S)-2-Methylhexan-1-ol
Appearance Clear oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 116.120115134 u
Formula C7H16O
InChI InChI=1S/C7H16O/c1-3-4-5-7(2)6-8/h7-8H,3-6H2,1-2H3/t7-/m0/s1
InChIKey LCFKURIJYIJNRU-ZETCQYMHSA-N
Inlet Type Split injector
Instrument Name HP 7890B-5977A inert mass detector
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800621
Molecular Weight 116.204 g/mol
Optical Rotation [a]D23.0 = -12.9 (c = 0.58, CHCl3)
Quality 400
SMILES OC[C@@](C)(CCCC)[H]
SPLASH splash10-052f-9000000000-9b98c509b5dd2e868fbb
Source of Spectrum K1-2018-SM7-22 (DOI: 10.1002/ejoc.201800621)
Thin-Layer Chromatography 0.30 (cyclohexane/EtOAc, 5:1)
Wiley ID 1894086