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Succinic acid, 2-methylbenzyl octyl ester
SpectraBase Compound ID 53BzQ8c5MVM
InChI InChI=1S/C20H30O4/c1-3-4-5-6-7-10-15-23-19(21)13-14-20(22)24-16-18-12-9-8-11-17(18)2/h8-9,11-12H,3-7,10,13-16H2,1-2H3
InChIKey PZTNDTRXEISJTM-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pCgGSDZaQP
Name Succinic acid, 2-methylbenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-3-4-5-6-7-10-15-23-19(21)13-14-20(22)24-16-18-12-9-8-11-17(18)2/h8-9,11-12H,3-7,10,13-16H2,1-2H3
InChIKey PZTNDTRXEISJTM-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(CCC(OCC=1C(C)=CC=CC1)=O)(OCCCCCCCC)=O