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N,N-Dimethyl-3-hydroxy-4-phenylbutanethioamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N,N-Dimethyl-3-hydroxy-4-phenylbutanethioamide
SpectraBase Compound ID C4tnLWz4ZGA
InChI InChI=1S/C12H17NOS/c1-13(2)12(15)9-11(14)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKey VDXNQDPEEXKVHS-UHFFFAOYSA-N
Mol Weight 223.33 g/mol
Molecular Formula C12H17NOS
Exact Mass 223.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2aedY6jByeR
Name N,N-Dimethyl-3-hydroxy-4-phenylbutanethioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.103085344 u
Formula C12H17NOS
InChI InChI=1S/C12H17NOS/c1-13(2)12(15)9-11(14)8-10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3
InChIKey VDXNQDPEEXKVHS-UHFFFAOYSA-N
Molecular Weight 223.334 g/mol
SMILES C(CC(CC1=CC=CC=C1)O)(=S)N(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932911