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Thioanthranilic acid, N-methyl-, S-butyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Thioanthranilic acid, N-methyl-, S-butyl ester
SpectraBase Compound ID ErURpJx0AQk
InChI InChI=1S/C12H17NOS/c1-3-4-9-15-12(14)10-7-5-6-8-11(10)13-2/h5-8,13H,3-4,9H2,1-2H3
InChIKey HTOQSJDNDFIHED-UHFFFAOYSA-N
Mol Weight 223.33 g/mol
Molecular Formula C12H17NOS
Exact Mass 223.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7TdJXuT0vre
Name Thioanthranilic acid, N-methyl-, S-butyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.103085344 u
Formula C12H17NOS
InChI InChI=1S/C12H17NOS/c1-3-4-9-15-12(14)10-7-5-6-8-11(10)13-2/h5-8,13H,3-4,9H2,1-2H3
InChIKey HTOQSJDNDFIHED-UHFFFAOYSA-N
Molecular Weight 223.334 g/mol
SMILES C(SCCCC)(=O)C1=C(NC)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922997