| SpectraBase Spectrum ID |
B7oYaAPWSau |
| Name |
Coumarin-3-carboxamide, 6-methoxy-N-(4-iodophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.981102866 u |
| Formula |
C17H12INO4 |
| InChI |
InChI=1S/C17H12INO4/c1-22-13-6-7-15-10(8-13)9-14(17(21)23-15)16(20)19-12-4-2-11(18)3-5-12/h2-9H,1H3,(H,19,20) |
| InChIKey |
NCWREBNEGUVEOB-UHFFFAOYSA-N |
| Molecular Weight |
421.190 g/mol |
| SMILES |
C=1(C(OC=2C(C1)=CC(OC)=CC2)=O)C(NC=1C=CC(=CC1)I)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885828 |
