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Acetamide, N-(2-mercapto-1-phenylethyl)-
SpectraBase Compound ID DXP1XdymDab
InChI InChI=1S/C10H13NOS/c1-8(12)11-10(7-13)9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3,(H,11,12)
InChIKey MNFNWZHUBUSADK-UHFFFAOYSA-N
Mol Weight 195.28 g/mol
Molecular Formula C10H13NOS
Exact Mass 195.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AG4N7QHnqIl
Name Acetamide, N-(2-mercapto-1-phenylethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 195.071785216 u
Formula C10H13NOS
InChI InChI=1S/C10H13NOS/c1-8(12)11-10(7-13)9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3,(H,11,12)
InChIKey MNFNWZHUBUSADK-UHFFFAOYSA-N
Molecular Weight 195.280 g/mol
SMILES C(NC(C=1C=CC=CC1)CS)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970053