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N-(2,4-Dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)acetothioamide

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

N-(2,4-Dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)acetothioamide
SpectraBase Compound ID OV1mr0ol4Y
InChI InChI=1S/C19H23NO4S/c1-21-15-7-6-14(17(11-15)23-3)12-20-19(25)10-13-5-8-16(22-2)18(9-13)24-4/h5-9,11H,10,12H2,1-4H3,(H,20,25)
InChIKey ZXUJIXREBGDBFV-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C19H23NO4S
Exact Mass 361.134779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KfghZCh2S67
Name N-(2,4-Dimethoxybenzyl)-2-(3,4-dimethoxyphenyl)acetothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.134779395 u
Formula C19H23NO4S
InChI InChI=1S/C19H23NO4S/c1-21-15-7-6-14(17(11-15)23-3)12-20-19(25)10-13-5-8-16(22-2)18(9-13)24-4/h5-9,11H,10,12H2,1-4H3,(H,20,25)
InChIKey ZXUJIXREBGDBFV-UHFFFAOYSA-N
Molecular Weight 361.456 g/mol
SMILES C=1(C(=CC(=CC1)OC)OC)CNC(=S)CC=1C=C(OC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965978