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2-ethyl-6-methylthiocarbanilic acid, S-butyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2-ethyl-6-methylthiocarbanilic acid, S-butyl ester
SpectraBase Compound ID 1NDXhxhsPCO
InChI InChI=1S/C14H21NOS/c1-4-6-10-17-14(16)15-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H,15,16)
InChIKey ALNLUKIJOCBJJU-UHFFFAOYSA-N
Mol Weight 251.39 g/mol
Molecular Formula C14H21NOS
Exact Mass 251.134385 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID B3iUMbVwg57
Name 2-Ethyl-6-methylthiocarbanilic acid, S-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.134385473 u
Formula C14H21NOS
InChI InChI=1S/C14H21NOS/c1-4-6-10-17-14(16)15-13-11(3)8-7-9-12(13)5-2/h7-9H,4-6,10H2,1-3H3,(H,15,16)
InChIKey ALNLUKIJOCBJJU-UHFFFAOYSA-N
Molecular Weight 251.388 g/mol
SMILES N(C1=C(C=CC=C1CC)C)C(SCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.943041