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n-octyl benzylsuccinate

View entire compound with spectra: 1 MS (GC)

n-octyl benzylsuccinate
SpectraBase Compound ID 6O0jG1EqlEE
InChI InChI=1S/C19H28O4/c1-2-3-4-5-6-10-13-23-19(22)17(15-18(20)21)14-16-11-8-7-9-12-16/h7-9,11-12,17H,2-6,10,13-15H2,1H3,(H,20,21)
InChIKey QARGSOMDIKDNGN-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aA1zUfkNav
Name n-octyl benzylsuccinate
Alternate Name(s) 3-Benzyl-4-(octyloxy)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-2-3-4-5-6-10-13-23-19(22)17(15-18(20)21)14-16-11-8-7-9-12-16/h7-9,11-12,17H,2-6,10,13-15H2,1H3,(H,20,21)
InChIKey QARGSOMDIKDNGN-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES OC(CC(C(=O)OCCCCCCCC)Cc1ccccc1)=O
SPLASH splash10-0a4l-9300000000-c9cd69cd3bdede114a11
Source of Spectrum JC-446-106-0
Wiley ID 1320289