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(2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid methyl ester
SpectraBase Compound ID 1fx3eZXw2Vg
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-
InChIKey HHDYPZVHXGPCRG-VEQVDCDKSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1npffUnYX83
Name (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid methyl ester
CAS Registry Number 6901-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-11(8-14(18)20-5)6-7-16(19)12(2)9-13(17)10-15(16,3)4/h6-9,19H,10H2,1-5H3/b7-6+,11-8-
InChIKey HHDYPZVHXGPCRG-VEQVDCDKSA-N
Molecular Weight 278.348 g/mol
SMILES OC1(C(=CC(CC1(C)C)=O)C)\C=C\C(=C/C(=O)OC)C
SPLASH splash10-0006-3900000000-9588871057a9b7244a68
Source of Spectrum J-51-254-12
Synonyms (2Z,4E)-5-(1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoic acid methyl ester Methyl (2Z,4E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoate Methyl (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoate
Wiley ID 1282081