SpectraBase Spectrum ID |
XtxAzMA9J4 |
Name |
1-Benzyl-3-(3-methoxybenzyl)urea |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
270.136827826 u |
Formula |
C16H18N2O2 |
InChI |
InChI=1S/C16H18N2O2/c1-20-15-9-5-8-14(10-15)12-18-16(19)17-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H2,17,18,19) |
InChIKey |
ZSKPRGWARSZXBG-UHFFFAOYSA-N |
SMILES |
C(NCC1=CC=CC=C1)(=O)NCC1=CC(=CC=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810662 |