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1-(2-Chloro-ethyl)-3-(1-phenyl-ethyl)-urea

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

1-(2-Chloro-ethyl)-3-(1-phenyl-ethyl)-urea
SpectraBase Compound ID 8fNrORQdiup
InChI InChI=1S/C11H15ClN2O/c1-9(10-5-3-2-4-6-10)14-11(15)13-8-7-12/h2-6,9H,7-8H2,1H3,(H2,13,14,15)
InChIKey ICTVPPGDQKBWNY-UHFFFAOYSA-N
Mol Weight 226.71 g/mol
Molecular Formula C11H15ClN2O
Exact Mass 226.087291 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FfTIV7uRDl6
Name 1-(2-Chloro-ethyl)-3-(1-phenyl-ethyl)-urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.087290810 u
Formula C11H15ClN2O
InChI InChI=1S/C11H15ClN2O/c1-9(10-5-3-2-4-6-10)14-11(15)13-8-7-12/h2-6,9H,7-8H2,1H3,(H2,13,14,15)
InChIKey ICTVPPGDQKBWNY-UHFFFAOYSA-N
Molecular Weight 226.707 g/mol
SMILES C=1(C(NC(NCCCl)=O)C)C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953525