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(9E,12E)-15-Bromo-16-hydroxy-octadeca-9,12-dienoic acid methyl ester
SpectraBase Compound ID IRWao0OHe30
InChI InChI=1S/C19H33BrO3/c1-3-18(21)17(20)15-13-11-9-7-5-4-6-8-10-12-14-16-19(22)23-2/h5,7,11,13,17-18,21H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5+,13-11+
InChIKey YSHDRAKFJMTTNW-KNVWVLGRSA-N
Mol Weight 389.4 g/mol
Molecular Formula C19H33BrO3
Exact Mass 388.161308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KkJYrivod0
Name (9E,12E)-15-Bromo-16-hydroxy-octadeca-9,12-dienoic acid methyl ester
Alternate Name(s) 15-Bromo-16-hydroxy-.alpha.-linolenic acid methyl ester Methyl (9E,12E)-15-bromo-16-hydroxy-9,12-octadecadienoate
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Formula C19H33BrO3
InChI InChI=1S/C19H33BrO3/c1-3-18(21)17(20)15-13-11-9-7-5-4-6-8-10-12-14-16-19(22)23-2/h5,7,11,13,17-18,21H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5+,13-11+
InChIKey YSHDRAKFJMTTNW-KNVWVLGRSA-N
Molecular Weight 389.374 g/mol
SMILES OC(C(C\C=C\C\C=C\CCCCCCCC(=O)OC)Br)CC
SPLASH splash10-004l-0090000000-8e758b8cea553d86d155
Source of Spectrum H1-52-1356-5
Wiley ID 817614