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Acetamide, 2-phenylthio-N-pentyl-

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

Acetamide, 2-phenylthio-N-pentyl-
SpectraBase Compound ID 2RQOW23dxBV
InChI InChI=1S/C13H19NOS/c1-2-3-7-10-14-13(15)11-16-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,14,15)
InChIKey TZVUQGRWBYWKTL-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 GzBAOgwJIoy
Name Acetamide, 2-phenylthio-N-pentyl-
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/c1-2-3-7-10-14-13(15)11-16-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,14,15)
InChIKey TZVUQGRWBYWKTL-UHFFFAOYSA-N
Molecular Weight 237.361 g/mol
SMILES C(=O)(NCCCCC)CSC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922675