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Methyl 6-heptadecatri-8(Z),11(Z),14(Z)-2-hydroxybenzoate
SpectraBase Compound ID IDQJmbijOMw
InChI InChI=1S/C25H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h4-5,7-8,10-11,18,20-21,26H,3,6,9,12-17,19H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey HKDUWGPSLHZQPU-YSTUJMKBSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYgTBgVTReY
Name Methyl 6-heptadecatri-8(Z),11(Z),14(Z)-2-hydroxybenzoate
Alternate Name(s) Methyl 2-hydroxy-6-heptadec-8Z,11Z,14Z-trienylbenzoate Methyl 2-[(8Z,11Z,14Z)-8,11,14-heptadecatrienyl]-6-hydroxybenzoate
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Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-23(26)24(22)25(27)28-2/h4-5,7-8,10-11,18,20-21,26H,3,6,9,12-17,19H2,1-2H3/b5-4-,8-7-,11-10-
InChIKey HKDUWGPSLHZQPU-YSTUJMKBSA-N
Molecular Weight 384.560 g/mol
SMILES Oc1c(C(=O)OC)c(ccc1)CCCCCCC\C=C/C\C=C/C\C=C/CC
SPLASH splash10-0a7m-8901000000-bf4803c2e8dcea4f95bd
Source of Spectrum SB-36-298-0
Wiley ID 1361858