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Dimethyl N-methyl-N-phenylthiomethyl-amino-butanedioate

View entire compound with spectra: 1 NMR, and 1 FTIR

Dimethyl N-methyl-N-phenylthiomethyl-amino-butanedioate
SpectraBase Compound ID 2BwDiFeTLXc
InChI InChI=1S/C14H19NO4S/c1-15(10-20-11-7-5-4-6-8-11)12(14(17)19-3)9-13(16)18-2/h4-8,12H,9-10H2,1-3H3
InChIKey DBVKEHVJQBISFR-UHFFFAOYSA-N
Mol Weight 297.37 g/mol
Molecular Formula C14H19NO4S
Exact Mass 297.103479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 90hUDm8IFyw
Name Dimethyl N-methyl-N-phenylthiomethyl-amino-butanedioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.103479266 u
Formula C14H19NO4S
InChI InChI=1S/C14H19NO4S/c1-15(10-20-11-7-5-4-6-8-11)12(14(17)19-3)9-13(16)18-2/h4-8,12H,9-10H2,1-3H3
InChIKey DBVKEHVJQBISFR-UHFFFAOYSA-N
SMILES C1=C(C=CC=C1)SCN(C(C(=O)OC)CC(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918465