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Phenylethyl linolenate
SpectraBase Compound ID HpbJ7xllcV3
InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(27)28-24-23-25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-24H2,1H3/b4-3-,7-6-,10-9-
InChIKey KHVCRSFCDSZRML-PDBXOOCHSA-N
Mol Weight 382.6 g/mol
Molecular Formula C26H38O2
Exact Mass 382.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfsWWujyQl5
Name Phenylethyl linolenate
Carrier Gas Helium
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Formula C26H38O2
GC Oven Program Oven temp 290oC, split/splitless injector
InChI InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(27)28-24-23-25-20-17-16-18-21-25/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-24H2,1H3/b4-3-,7-6-,10-9-
InChIKey KHVCRSFCDSZRML-PDBXOOCHSA-N
Instrument Name Agilent GC 7890A-inert MSD 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3692
Molecular Weight 382.588 g/mol
SMILES c1c(cccc1)CCOC(CCCCCCC\C=C/C\C=C/C\C=C/CC)=O
SPLASH splash10-0a4i-7900000000-ff016ce26b3237c43c45
Source of Spectrum FF-37-SM3-Phenylethyl linolenate
Wiley ID 1876262