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Cyclohexanone, 2-methyl-5-(1-methylethenyl)-2-(4-pentynyl)-, (2S-cis)-
SpectraBase Compound ID B6P0wWof3cw
InChI InChI=1S/C15H22O/c1-5-6-7-9-15(4)10-8-13(12(2)3)11-14(15)16/h1,13H,2,6-11H2,3-4H3/t13-,15+/m1/s1
InChIKey JGFHMQYBRCITLA-HIFRSBDPSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6SjneJ7xBD0
Name Cyclohexanone, 2-methyl-5-(1-methylethenyl)-2-(4-pentynyl)-, (2S-cis)-
Alternate Name(s) (2S,5R)-5-isopropenyl-2-methyl-2-(4-pentynyl)cyclohexanone (2S-cis)-2-methyl-5-(1-methylethenyl)-2-(4-pentynyl)-cyclohexanone
CAS Registry Number 68525-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-5-6-7-9-15(4)10-8-13(12(2)3)11-14(15)16/h1,13H,2,6-11H2,3-4H3/t13-,15+/m1/s1
InChIKey JGFHMQYBRCITLA-HIFRSBDPSA-N
Molecular Weight 218.340 g/mol
SMILES C1([C@](CC[C@](C1)(C(=C)C)[H])(CCCC#C)C)=O
SPLASH splash10-0zfu-3900000000-b7c08c3640cfd6eb1628
Source of Spectrum J-44-548-0
Wiley ID 1218165