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1-(p-Chlorobenzyl)-1,3-dimethyl-3-phenylurea

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

1-(p-Chlorobenzyl)-1,3-dimethyl-3-phenylurea
SpectraBase Compound ID 8jmc3gxb54h
InChI InChI=1S/C16H17ClN2O/c1-18(12-13-8-10-14(17)11-9-13)16(20)19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey TWQAQCJAKGXMEJ-UHFFFAOYSA-N
Mol Weight 288.78 g/mol
Molecular Formula C16H17ClN2O
Exact Mass 288.102941 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IDMlrykVD8Q
Name 1-(p-Chlorobenzyl)-1,3-dimethyl-3-phenylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.102940874 u
Formula C16H17ClN2O
InChI InChI=1S/C16H17ClN2O/c1-18(12-13-8-10-14(17)11-9-13)16(20)19(2)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3
InChIKey TWQAQCJAKGXMEJ-UHFFFAOYSA-N
SMILES C1=C(C=CC(=C1)Cl)CN(C)C(N(C1=CC=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853306