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2,4-dimethylthiocarbanilic acid, S-butyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

2,4-dimethylthiocarbanilic acid, S-butyl ester
SpectraBase Compound ID CVuWTgi3TRD
InChI InChI=1S/C13H19NOS/c1-4-5-8-16-13(15)14-12-7-6-10(2)9-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKey LFVWVTWPRWYMJU-UHFFFAOYSA-N
Mol Weight 237.36 g/mol
Molecular Formula C13H19NOS
Exact Mass 237.118735 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JFqwSK9RzJ1
Name 2,4-Dimethylthiocarbanilic acid, S-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.118735409 u
Formula C13H19NOS
InChI InChI=1S/C13H19NOS/c1-4-5-8-16-13(15)14-12-7-6-10(2)9-11(12)3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKey LFVWVTWPRWYMJU-UHFFFAOYSA-N
Molecular Weight 237.361 g/mol
SMILES N(C1=CC=C(C=C1C)C)C(SCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.991363