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4-[(1E)-1,3-Butadienyl]-3,5,5-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID GpI1i0iit77
InChI InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+
InChIKey YKVWPZJHENXDAJ-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 1B9Qv6q59U
Name 4-[(1E)-1,3-Butadienyl]-3,5,5-trimethyl-2-cyclohexen-1-one
CAS Registry Number 38818-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+
InChIKey YKVWPZJHENXDAJ-VOTSOKGWSA-N
Molecular Weight 190.286 g/mol
SMILES C1(=CC(=O)CC(C1\C=C\C=C)(C)C)C
SPLASH splash10-0007-5900000000-62a4c1c9236e75cddad1
Source of Spectrum PR-1269-0-0
Synonyms 4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethyl-1-cyclohex-2-enone 4-[(1E)-buta-1,3-dienyl]-3,5,5-trimethyl-cyclohex-2-en-1-one Megastigmatrienone
Wiley ID 1187057