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4,8,12-Tetradecatrien-1-one, 2-chloro-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyl-, (E,E)-
SpectraBase Compound ID 9P6tj1rE3Xi
InChI InChI=1S/C24H33ClO3/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-15-22(25)24(27)21-14-13-20(28-5)16-23(21)26/h8,10,12-14,16,22,26H,6-7,9,11,15H2,1-5H3/b18-10+,19-12+
InChIKey DGTNAVUCMOCLSX-UBIAKTOFSA-N
Mol Weight 405.0 g/mol
Molecular Formula C24H33ClO3
Exact Mass 404.211823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxFFx7WqitD
Name 4,8,12-Tetradecatrien-1-one, 2-chloro-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyl-, (E,E)-
CAS Registry Number 127970-08-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33ClO3
InChI InChI=1S/C24H33ClO3/c1-17(2)8-6-9-18(3)10-7-11-19(4)12-15-22(25)24(27)21-14-13-20(28-5)16-23(21)26/h8,10,12-14,16,22,26H,6-7,9,11,15H2,1-5H3/b18-10+,19-12+
InChIKey DGTNAVUCMOCLSX-UBIAKTOFSA-N
Molecular Weight 404.978 g/mol
SMILES Oc1c(C(=O)C(C\C=C\(CC\C=C\(CCC=C(C)C)C)C)Cl)ccc(OC)c1
SPLASH splash10-014r-0009000000-6ffec457cfdcce628653
Source of Spectrum KC-1989-2308-6
Synonyms (4E,8E)-2-chloro-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyl-4,8,12-tetradecatrien-1-one (4E,8E)-3-chloro-1-(2-hydroxy-4-methyoxyphenyl)-5,9-dimethyltetradeca-4,8,12-trien-1-one
Wiley ID 1371421