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Diethylmalonic acid, decyl 2-methylthiophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, decyl 2-methylthiophenyl ester
SpectraBase Compound ID Htjyod3GoAF
InChI InChI=1S/C24H38O4S/c1-5-8-9-10-11-12-13-16-19-27-22(25)24(6-2,7-3)23(26)28-20-17-14-15-18-21(20)29-4/h14-15,17-18H,5-13,16,19H2,1-4H3
InChIKey YWDROAFFNSVCQP-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C24H38O4S
Exact Mass 422.249081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CCAlj7xPqm
Name Diethylmalonic acid, decyl 2-methylthiophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.249080874 u
Formula C24H38O4S
InChI InChI=1S/C24H38O4S/c1-5-8-9-10-11-12-13-16-19-27-22(25)24(6-2,7-3)23(26)28-20-17-14-15-18-21(20)29-4/h14-15,17-18H,5-13,16,19H2,1-4H3
InChIKey YWDROAFFNSVCQP-UHFFFAOYSA-N
Molecular Weight 422.624 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)SC)=O)CC