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4-[(E)-5-(2,5-dihydroxyphenyl)-3-methyl-pent-3-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID 8o3MHGZdpmm
InChI InChI=1S/C21H28O3/c1-14(5-7-16-12-17(22)8-10-20(16)24)6-9-19-15(2)11-18(23)13-21(19,3)4/h5,8,10-12,19,22,24H,6-7,9,13H2,1-4H3/b14-5+
InChIKey IAJLWFBMALYGIU-LHHJGKSTSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51Ayd57JPyP
Name 4-[(E)-5-(2,5-dihydroxyphenyl)-3-methyl-pent-3-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-14(5-7-16-12-17(22)8-10-20(16)24)6-9-19-15(2)11-18(23)13-21(19,3)4/h5,8,10-12,19,22,24H,6-7,9,13H2,1-4H3/b14-5+
InChIKey IAJLWFBMALYGIU-LHHJGKSTSA-N
Molecular Weight 328.452 g/mol
SMILES Oc1cc(c(cc1)O)C\C=C\(CCC1C(C)(C)CC(C=C1C)=O)C
SPLASH splash10-00dr-0900000000-4d7dceabb3be284c1f4a
Source of Spectrum F-50-8160-7
Synonyms 4-[(E)-5-(2,5-dihydroxyphenyl)-3-methylpent-3-enyl]-3,5,5-trimethyl-1-cyclohex-2-enone 4-[(E)-5-[2,5-bis(oxidanyl)phenyl]-3-methyl-pent-3-enyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
Wiley ID 1326702