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S-p-Tolyl 2-(methylamino)benzothioate
SpectraBase Compound ID 3EhYEPvT6Xl
InChI InChI=1S/C15H15NOS/c1-11-7-9-12(10-8-11)18-15(17)13-5-3-4-6-14(13)16-2/h3-10,16H,1-2H3
InChIKey BMGGUMGTLHHSPP-UHFFFAOYSA-N
Mol Weight 257.35 g/mol
Molecular Formula C15H15NOS
Exact Mass 257.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D9R6SKv1THD
Name S-p-Tolyl 2-(methylamino)benzothioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.087435280 u
Formula C15H15NOS
InChI InChI=1S/C15H15NOS/c1-11-7-9-12(10-8-11)18-15(17)13-5-3-4-6-14(13)16-2/h3-10,16H,1-2H3
InChIKey BMGGUMGTLHHSPP-UHFFFAOYSA-N
Molecular Weight 257.351 g/mol
SMILES C(C1=C(NC)C=CC=C1)(SC1=CC=C(C=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893957