SpectraBase Spectrum ID |
8995FuVoda8 |
Name |
Ethyl[(4-chlorophenyl)phenylmethyl]carbamate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.086956457 u |
Formula |
C16H16ClNO2 |
InChI |
InChI=1S/C16H16ClNO2/c1-2-20-16(19)18-15(12-6-4-3-5-7-12)13-8-10-14(17)11-9-13/h3-11,15H,2H2,1H3,(H,18,19) |
InChIKey |
OONZNPURRNJKJG-UHFFFAOYSA-N |
SMILES |
C(NC(C=1C=CC(=CC1)Cl)C1=CC=CC=C1)(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827862 |