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Acetamide, 2-phenylthio-N-3-methylbutyl-

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

Acetamide, 2-phenylthio-N-3-methylbutyl-
SpectraBase Compound ID DNz7BgSZJ27
InChI InChI=1S/C13H19NOS/c1-11(2)8-9-14-13(15)10-16-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChIKey QPMJETSYOJEYMZ-UHFFFAOYSA-N
Mol Weight 237.36 g/mol
Molecular Formula C13H19NOS
Exact Mass 237.118735 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Gj8G7On2cXT
Name Acetamide, 2-phenylthio-N-3-methylbutyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.118735409 u
Formula C13H19NOS
InChI InChI=1S/C13H19NOS/c1-11(2)8-9-14-13(15)10-16-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,15)
InChIKey QPMJETSYOJEYMZ-UHFFFAOYSA-N
Molecular Weight 237.361 g/mol
SMILES C(=O)(NCCC(C)C)CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91247