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4-(3-Hydroxybutyl)-3,5,5-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID Gc3AdxFfjq8
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3
InChIKey UEEJDIUOCUCVHN-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10xOnJLNc76
Name 4-(3-Hydroxybutyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CAS Registry Number 36151-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10,12,14H,5-6,8H2,1-4H3
InChIKey UEEJDIUOCUCVHN-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OC(CCC1C(C)(C)CC(C=C1C)=O)C
SPLASH splash10-0006-9310000000-dd6d2508093029173b8b
Source of Spectrum Va-0-0-0
Synonyms 2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl- 3-Oxo-7,8-dihydro-.alpha.-ionol Blumenol C 3,5,5-trimethyl-4-(3-oxidanylbutyl)cyclohex-2-en-1-one 4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one 4-(3-hydroxybutyl)-3,5,5-trimethyl-1-cyclohex-2-enone 4-(3-hydroxybutyl)-3,5,5-trimethyl-cyclohex-2-en-1-one EINECS 252-892-8
Wiley ID 739140