| SpectraBase Spectrum ID |
Fgwwfay1q4L |
| Name |
3,4-(Methylenedioxy)-4'-nitrochalcone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.063722453 u |
| Formula |
C16H11NO5 |
| InChI |
InChI=1S/C16H11NO5/c18-14(12-3-5-13(6-4-12)17(19)20)7-1-11-2-8-15-16(9-11)22-10-21-15/h1-9H,10H2 |
| InChIKey |
FMNQGVMNCNMWBE-UHFFFAOYSA-N |
| Molecular Weight |
297.266 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC(=CC1)C(C=CC=1C=CC2=C(C1)OCO2)=O |
| Spectrum/Structure Validation Score (Raman) |
0.928811 |
