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Succinic acid, 3-methylbenzyl tridecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 3-methylbenzyl tridecyl ester
SpectraBase Compound ID GHnfes8oGfg
InChI InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-28-24(26)17-18-25(27)29-21-23-16-14-15-22(2)20-23/h14-16,20H,3-13,17-19,21H2,1-2H3
InChIKey AEDSQMZQJFBBDM-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 15VPdw0sA9F
Name Succinic acid, 3-methylbenzyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-19-28-24(26)17-18-25(27)29-21-23-16-14-15-22(2)20-23/h14-16,20H,3-13,17-19,21H2,1-2H3
InChIKey AEDSQMZQJFBBDM-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES C(OC(=O)CCC(OCCCCCCCCCCCCC)=O)C=1C=CC=C(C)C1