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N-(2,4-Dimethoxybenzyl)-2-(4-methoxyphenyl)acetothioamide

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

N-(2,4-Dimethoxybenzyl)-2-(4-methoxyphenyl)acetothioamide
SpectraBase Compound ID J6f9g5DiIrh
InChI InChI=1S/C18H21NO3S/c1-20-15-7-4-13(5-8-15)10-18(23)19-12-14-6-9-16(21-2)11-17(14)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,23)
InChIKey SIQXXKDOMSGALT-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApMIwVSn4S1
Name N-(2,4-Dimethoxybenzyl)-2-(4-methoxyphenyl)acetothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.124214711 u
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-20-15-7-4-13(5-8-15)10-18(23)19-12-14-6-9-16(21-2)11-17(14)22-3/h4-9,11H,10,12H2,1-3H3,(H,19,23)
InChIKey SIQXXKDOMSGALT-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES C=1(C(=CC(=CC1)OC)OC)CNC(=S)CC=1C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952981