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1-(3',3'-Dihydroxyphenyl)octadec-13-en-5-one
SpectraBase Compound ID 7gT5R9AvBxK
InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-22(25)19-14-13-16-21-17-15-20-23(26)24(21)27/h5-6,15,17,20,26-27H,2-4,7-14,16,18-19H2,1H3/b6-5+
InChIKey ZGQAJXNDBULFDW-AATRIKPKSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vvAXwbGuV7
Name 1-(3',3'-Dihydroxyphenyl)octadec-13-en-5-one
Alternate Name(s) (13E)-1-(2,3-dihydroxyphenyl)-13-octadecen-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-22(25)19-14-13-16-21-17-15-20-23(26)24(21)27/h5-6,15,17,20,26-27H,2-4,7-14,16,18-19H2,1H3/b6-5+
InChIKey ZGQAJXNDBULFDW-AATRIKPKSA-N
Molecular Weight 374.565 g/mol
SMILES Oc1c(c(ccc1)CCCCC(=O)CCCCCCC\C=C\CCCC)O
SPLASH splash10-00di-0913000000-1941941dcd6740edfab5
Source of Spectrum H-76-1899-3
Wiley ID 1356951