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N-[(Propylamino)carbonothioyl]benzamide

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N-[(Propylamino)carbonothioyl]benzamide
SpectraBase Compound ID 3eM3eld5zm2
InChI InChI=1S/C11H14N2OS/c1-2-8-12-11(15)13-10(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,15)
InChIKey NGJWZINEOWULII-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C11H14N2OS
Exact Mass 222.082684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CL301TZmCOb
Name N-[(Propylamino)carbonothioyl]benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.082684252 u
Formula C11H14N2OS
InChI InChI=1S/C11H14N2OS/c1-2-8-12-11(15)13-10(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13,14,15)
InChIKey NGJWZINEOWULII-UHFFFAOYSA-N
Molecular Weight 222.306 g/mol
SMILES C(NC(=S)NCCC)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89432