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3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethylcyclohex-2-en-1-one
SpectraBase Compound ID 81BfKtDlvvY
InChI InChI=1S/C13H18O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-7H,1,8-9H2,2-4H3/b7-6+
InChIKey NSFWSHKUSWODJO-VOTSOKGWSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1nzluMGsB1
Name 3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethyl-1-cyclohex-2-enone
CAS Registry Number 68803-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-7H,1,8-9H2,2-4H3/b7-6+
InChIKey NSFWSHKUSWODJO-VOTSOKGWSA-N
Molecular Weight 190.286 g/mol
SMILES C1CC(C(=C(C1=O)C)\C=C\C=C)(C)C
SPLASH splash10-000x-3900000000-4b1e831fa9bcf1475df3
Source of Spectrum H-61-2333-0
Synonyms 3-[(1E)-buta-1,3-dienyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
Wiley ID 1186942