| SpectraBase Spectrum ID |
6Eddk6Be0BB |
| Name |
3-Methoxy-6-nitro-2,3-dihydrochromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.048072389 u |
| Formula |
C10H9NO5 |
| InChI |
InChI=1S/C10H9NO5/c1-15-9-5-16-8-3-2-6(11(13)14)4-7(8)10(9)12/h2-4,9H,5H2,1H3 |
| InChIKey |
HULYKLSYRJJULG-UHFFFAOYSA-N |
| Molecular Weight |
223.184 g/mol |
| SMILES |
C1=2C(C(OC)COC2C=CC(N(=O)=O)=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963443 |
