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4-isopropyl-3-(2-propenyl)cyclohexan-1-one
SpectraBase Compound ID JueEWoGIyDq
InChI InChI=1S/C12H20O/c1-4-5-10-8-11(13)6-7-12(10)9(2)3/h4,9-10,12H,1,5-8H2,2-3H3
InChIKey XIILFFUYQOFEQM-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NrYT2TFYxs
Name 4-isopropyl-3-(2-propenyl)cyclohexan-1-one
Alternate Name(s) 3-Allyl-4-isopropylcyclohexanone
CAS Registry Number 126377-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-4-5-10-8-11(13)6-7-12(10)9(2)3/h4,9-10,12H,1,5-8H2,2-3H3
InChIKey XIILFFUYQOFEQM-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C1(C(CC(CC1)=O)CC=C)C(C)C
SPLASH splash10-0apm-9000000000-793f6d95ee14c171e15c
Source of Spectrum C-112-4407-0
Wiley ID 1176940