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Cyclohexanone, 3-butyl-2-(2-propenyl)-, trans-
SpectraBase Compound ID 9dxMWG9bLsX
InChI InChI=1S/C13H22O/c1-3-5-8-11-9-6-10-13(14)12(11)7-4-2/h4,11-12H,2-3,5-10H2,1H3/t11-,12+/m0/s1
InChIKey RXXHFLHIIMUDGP-NWDGAFQWSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OTRLakF8MQ
Name Cyclohexanone, 3-butyl-2-(2-propenyl)-, trans-
CAS Registry Number 124244-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-3-5-8-11-9-6-10-13(14)12(11)7-4-2/h4,11-12H,2-3,5-10H2,1H3/t11-,12+/m0/s1
InChIKey RXXHFLHIIMUDGP-NWDGAFQWSA-N
Molecular Weight 194.318 g/mol
SMILES C1([C@@]([C@@](CCCC)(CCC1)[H])(CC=C)[H])=O
SPLASH splash10-052k-4900000000-338f5afae07287590a0e
Source of Spectrum J-55-1280-0
Synonyms (2R,3S)-2-allyl-3-butylcyclohexanone 3-Butyl-2-(2-propenyl)cyclohexanone (trans-2d)
Wiley ID 1191488