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N-(3,4-Dimethoxyphenethyl)-2-phenylthioacetamide

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

N-(3,4-Dimethoxyphenethyl)-2-phenylthioacetamide
SpectraBase Compound ID 1kIaV9EyhNh
InChI InChI=1S/C18H21NO2S/c1-20-16-9-8-15(12-17(16)21-2)10-11-19-18(22)13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)
InChIKey BSDXQEQXIOROLP-UHFFFAOYSA-N
Mol Weight 315.43 g/mol
Molecular Formula C18H21NO2S
Exact Mass 315.1293 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JQZtUs4YlL8
Name N-(3,4-Dimethoxyphenethyl)-2-phenylthioacetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.129300092 u
Formula C18H21NO2S
InChI InChI=1S/C18H21NO2S/c1-20-16-9-8-15(12-17(16)21-2)10-11-19-18(22)13-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)
InChIKey BSDXQEQXIOROLP-UHFFFAOYSA-N
SMILES N(CCC1=CC(=C(C=C1)OC)OC)C(=S)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.932308