| SpectraBase Spectrum ID |
BvhjxmUPGwP |
| Name |
Allophanic acid, 4-benzoyl-, m-tolyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.095356935 u |
| Formula |
C16H14N2O4 |
| InChI |
InChI=1S/C16H14N2O4/c1-11-6-5-9-13(10-11)22-16(21)18-15(20)17-14(19)12-7-3-2-4-8-12/h2-10H,1H3,(H2,17,18,19,20,21) |
| InChIKey |
CGSDIWWBRSPATH-UHFFFAOYSA-N |
| Molecular Weight |
298.298 g/mol |
| SMILES |
C1=CC(C(NC(NC(OC2=CC(C)=CC=C2)=O)=O)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826904 |
