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N-(1,1-Dimethyl-2-phenylthioethyl)cinnamamide

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

N-(1,1-Dimethyl-2-phenylthioethyl)cinnamamide
SpectraBase Compound ID Bq5QXrGN59R
InChI InChI=1S/C19H21NOS/c1-19(2,15-22-17-11-7-4-8-12-17)20-18(21)14-13-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,20,21)/b14-13+
InChIKey RMRBFYWCZCDOEB-BUHFOSPRSA-N
Mol Weight 311.44 g/mol
Molecular Formula C19H21NOS
Exact Mass 311.134385 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3vHQIEbAy2Q
Name N-(1,1-Dimethyl-2-phenylthioethyl)cinnamamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.134385473 u
Formula C19H21NOS
InChI InChI=1S/C19H21NOS/c1-19(2,15-22-17-11-7-4-8-12-17)20-18(21)14-13-16-9-5-3-6-10-16/h3-14H,15H2,1-2H3,(H,20,21)/b14-13+
InChIKey RMRBFYWCZCDOEB-BUHFOSPRSA-N
Molecular Weight 311.443 g/mol
SMILES C(\C=C\C=1C=CC=CC1)(NC(CSC=1C=CC=CC1)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835769