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1,3-Butanediol, 2-(3-methyl-2-butenyl)-, [S-(R*,S*)]-
SpectraBase Compound ID DhoYXaSFlm4
InChI InChI=1S/C9H18O2/c1-7(2)4-5-9(6-10)8(3)11/h4,8-11H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey FVDOZPZAGYXWRS-BDAKNGLRSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXmd5lCDQ3m
Name 1,3-Butanediol, 2-(3-methyl-2-butenyl)-, [S-(R*,S*)]-
Alternate Name(s) (2S,1'R)-2-(1'-hydroxyethyl)-5-methyl-4-hexen-1-ol (2S,3R)-2-(3-methyl-2-butenyl)-1,3-butanediol
CAS Registry Number 81757-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-7(2)4-5-9(6-10)8(3)11/h4,8-11H,5-6H2,1-3H3/t8-,9+/m1/s1
InChIKey FVDOZPZAGYXWRS-BDAKNGLRSA-N
Molecular Weight 158.241 g/mol
SMILES O[C@@]([C@](CO)(CC=C(C)C)[H])(C)[H]
SPLASH splash10-052f-9200000000-3158da191b61f2680a4d
Source of Spectrum H-65-298-0
Wiley ID 1155502