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(2S-cis)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-(4-pentynyl)cyclohexanone
SpectraBase Compound ID CoB3r8uanGI
InChI InChI=1S/C15H24O2/c1-5-6-7-9-15(4)10-8-12(11-13(15)16)14(2,3)17/h1,12,17H,6-11H2,2-4H3/t12-,15+/m1/s1
InChIKey WQEHANMYERVEBL-DOMZBBRYSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa7tImBcmI2
Name (2S-cis)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-(4-pentynyl)cyclohexanone
Alternate Name(s) (2S,5R)-5-(1-hydroxy-1-methylethyl)-2-methyl-2-(4-pentynyl)cyclohexanone
CAS Registry Number 68524-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-5-6-7-9-15(4)10-8-12(11-13(15)16)14(2,3)17/h1,12,17H,6-11H2,2-4H3/t12-,15+/m1/s1
InChIKey WQEHANMYERVEBL-DOMZBBRYSA-N
Molecular Weight 236.355 g/mol
SMILES OC([C@]1(CC([C@](CC1)(CCCC#C)C)=O)[H])(C)C
SPLASH splash10-0w2c-3900000000-8cc2840a316fbd13e18a
Source of Spectrum J-44-548-0
Wiley ID 1238603