| SpectraBase Spectrum ID |
GPhKooalJa8 |
| Name |
N-(3-Coumarinyl)-N'-(5-tropolonyl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.074621489 u |
| Formula |
C17H12N2O5 |
| InChI |
InChI=1S/C17H12N2O5/c20-13-7-5-11(6-8-14(13)21)18-17(23)19-12-9-10-3-1-2-4-15(10)24-16(12)22/h1-9H,(H,20,21)(H2,18,19,23) |
| InChIKey |
XSASVBXPIWHBNJ-UHFFFAOYSA-N |
| Molecular Weight |
324.292 g/mol |
| SMILES |
C=1(C(OC=2C(C1)=CC=CC2)=O)NC(NC1=CC=C(O)C(C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941944 |
