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2,5-dimethoxythiocarbanilic acid, S-butyl ester

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

2,5-dimethoxythiocarbanilic acid, S-butyl ester
SpectraBase Compound ID Bts6Ox7Y7ZV
InChI InChI=1S/C13H19NO3S/c1-4-5-8-18-13(15)14-11-9-10(16-2)6-7-12(11)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKey JSAVWAUFSNAPLY-UHFFFAOYSA-N
Mol Weight 269.36 g/mol
Molecular Formula C13H19NO3S
Exact Mass 269.108565 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CZHxy5MWdcv
Name 2,5-Dimethoxythiocarbanilic acid, S-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.108564647 u
Formula C13H19NO3S
InChI InChI=1S/C13H19NO3S/c1-4-5-8-18-13(15)14-11-9-10(16-2)6-7-12(11)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKey JSAVWAUFSNAPLY-UHFFFAOYSA-N
Molecular Weight 269.359 g/mol
SMILES N(C1=CC(=CC=C1OC)OC)C(SCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.87047