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n-decyl benzylsuccinate

View entire compound with spectra: 1 MS (GC)

n-decyl benzylsuccinate
SpectraBase Compound ID HTE7lGBsPDe
InChI InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-12-15-25-21(24)19(17-20(22)23)16-18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3,(H,22,23)
InChIKey BWIHJERIELXXRU-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wi5NyiBcxv
Name n-decyl benzylsuccinate
Alternate Name(s) 3-Benzyl-4-(decyloxy)-4-oxobutanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-2-3-4-5-6-7-8-12-15-25-21(24)19(17-20(22)23)16-18-13-10-9-11-14-18/h9-11,13-14,19H,2-8,12,15-17H2,1H3,(H,22,23)
InChIKey BWIHJERIELXXRU-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES OC(CC(C(=O)OCCCCCCCCCC)Cc1ccccc1)=O
SPLASH splash10-052f-9300000000-cc1f4418d0d948ae1cb5
Source of Spectrum JC-446-106-0
Wiley ID 1340858