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4-(3-Oxo-1-butenyl)-4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
SpectraBase Compound ID INZCK6NfVkI
InChI InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZ7rXrhBHLF
Name 4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-2-cyclohexen-1-one
CAS Registry Number 14398-38-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+
InChIKey JJRYPZMXNLLZFH-AATRIKPKSA-N
Molecular Weight 222.284 g/mol
SMILES OC1(C(=CC(CC1(C)C)=O)C)\C=C\C(=O)C
SPLASH splash10-00di-3900000000-68b0edaeba95bf84c8a6
Source of Spectrum W5-1989-37937-27599
Synonyms 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)- 3,5,5-trimethyl-4-oxidanyl-4-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one 4-Hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone Dehydrovomifoliol 4-Hydroxy-3,5,5-trimethyl-4-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one 4-Hydroxy-3,5,5-trimethyl-4-[3-oxo-1-butenyl]-2-cyclohexen-1-one 4-Hydroxy-4-[(E)-3-ketobut-1-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
Wiley ID 1222562