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1-Benzoyl-3-(3,4-dimethoxyphenyl)-2-thiourea

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

1-Benzoyl-3-(3,4-dimethoxyphenyl)-2-thiourea
SpectraBase Compound ID mpEDoY0kIZ
InChI InChI=1S/C16H16N2O3S/c1-20-13-9-8-12(10-14(13)21-2)17-16(22)18-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,22)
InChIKey LWPVPLGFIBUYGL-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1s85af0U0ec
Name 1-Benzoyl-3-(3,4-dimethoxyphenyl)-2-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.088163554 u
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-20-13-9-8-12(10-14(13)21-2)17-16(22)18-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,22)
InChIKey LWPVPLGFIBUYGL-UHFFFAOYSA-N
Molecular Weight 316.375 g/mol
SMILES N(C1=CC=C(C(=C1)OC)OC)C(NC(C=1C=CC=CC1)=O)=S
Spectrum/Structure Validation Score (Raman) 0.891279