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Cyclohexanone, 3-(2-butenyl)-4-(1-methylethyl)-, [3.alpha.(E),4.beta.]-
SpectraBase Compound ID JeXKGxWnNda
InChI InChI=1S/C13H22O/c1-4-5-6-11-9-12(14)7-8-13(11)10(2)3/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+
InChIKey IQVCPJJXJAYEPQ-SNAWJCMRSA-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 GeclrvHK8dj
Name Cyclohexanone, 3-(2-butenyl)-4-(1-methylethyl)-, [3.alpha.(E),4.beta.]-
Alternate Name(s) 3-(2-Butenyl)-4-isopropylcyclohexan-1-one 3-[(2E)-2-butenyl]-4-isopropylcyclohexanone
CAS Registry Number 126377-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-5-6-11-9-12(14)7-8-13(11)10(2)3/h4-5,10-11,13H,6-9H2,1-3H3/b5-4+
InChIKey IQVCPJJXJAYEPQ-SNAWJCMRSA-N
Molecular Weight 194.318 g/mol
SMILES C1(C(CC(CC1)=O)C\C=C\C)C(C)C
SPLASH splash10-0aps-9200000000-c4d8efeb790db9e6afea
Source of Spectrum C-112-4410-0
Wiley ID 1191495