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(4S)-3-Allyl-4-isopropylcyclohex-2-en-1-one
SpectraBase Compound ID 6RzB8ojPmfs
InChI InChI=1S/C12H18O/c1-4-5-10-8-11(13)6-7-12(10)9(2)3/h4,8-9,12H,1,5-7H2,2-3H3/t12-/m0/s1
InChIKey UBWRQNHTBAIQIH-LBPRGKRZSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hfoVlWrfrg
Name (4S)-3-Allyl-4-isopropylcyclohex-2-en-1-one
Alternate Name(s) (4S)-4-propan-2-yl-3-prop-2-enyl-1-cyclohex-2-enone (4S)-4-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one (4S)-4-propan-2-yl-3-prop-2-enyl-cyclohex-2-en-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-5-10-8-11(13)6-7-12(10)9(2)3/h4,8-9,12H,1,5-7H2,2-3H3/t12-/m0/s1
InChIKey UBWRQNHTBAIQIH-LBPRGKRZSA-N
Molecular Weight 178.275 g/mol
SMILES C1(=CC(=O)CC[C@]1(C(C)C)[H])CC=C
SPLASH splash10-000i-0900000000-597fe984c0291657159b
Source of Spectrum C-124-11098-14e
Wiley ID 1700884