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4-Hexadecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (E)-
SpectraBase Compound ID dLMdiJJEkM
InChI InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
InChIKey WCQFXNQALHURHS-BUHFOSPRSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUTNWfAzkqv
Name 4-Hexadecen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-, (E)-
Alternate Name(s) (E)-1-(3-methoxy-4-oxidanyl-phenyl)hexadec-4-en-3-one (E)-1-(4-hydroxy-3-methoxy-phenyl)hexadec-4-en-3-one (E)-1-(4-hydroxy-3-methoxyphenyl)-4-hexadecen-3-one trans-12-Shogaol
CAS Registry Number 104264-52-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
InChIKey WCQFXNQALHURHS-BUHFOSPRSA-N
Molecular Weight 360.538 g/mol
SMILES Oc1c(cc(cc1)CCC(\C=C\CCCCCCCCCCC)=O)OC
SPLASH splash10-0bti-1954000000-e56480287922aa016520
Source of Spectrum JC-360-182-0
Wiley ID 1348665