SpectraBase Spectrum ID |
C8dbkioFioH |
Name |
Ethanediamide, N-allyl-N'-benzyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.105527697 u |
Formula |
C12H14N2O2 |
InChI |
InChI=1S/C12H14N2O2/c1-2-8-13-11(15)12(16)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,13,15)(H,14,16) |
InChIKey |
RGZVOCBPQUWYKX-UHFFFAOYSA-N |
Molecular Weight |
218.256 g/mol |
SMILES |
C(C(=O)NCC=C)(NCC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943568 |