| SpectraBase Spectrum ID |
8P1sI1KRlSt |
| Name |
Coumarin-3-carboxamide, 8-methoxy-N-(3-chlorophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.045485566 u |
| Formula |
C17H12ClNO4 |
| InChI |
InChI=1S/C17H12ClNO4/c1-22-14-7-2-4-10-8-13(17(21)23-15(10)14)16(20)19-12-6-3-5-11(18)9-12/h2-9H,1H3,(H,19,20) |
| InChIKey |
HLEWRWIVQPVALP-UHFFFAOYSA-N |
| Molecular Weight |
329.739 g/mol |
| SMILES |
C12=C(C=CC=C2C=C(C(O1)=O)C(NC1=CC(=CC=C1)Cl)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977892 |
