| SpectraBase Spectrum ID |
FEq672VsqXK |
| Name |
6-Cyclopropanecarbonyl-7-nitro-2,3-dihydro-1,4-benzodioxine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.063722453 u |
| Formula |
C12H11NO5 |
| InChI |
InChI=1S/C12H11NO5/c14-12(7-1-2-7)8-5-10-11(18-4-3-17-10)6-9(8)13(15)16/h5-7H,1-4H2 |
| InChIKey |
IGRBJPKAWMALAS-UHFFFAOYSA-N |
| Molecular Weight |
249.222 g/mol |
| SMILES |
C=1(C(N(=O)=O)=CC2=C(C1)OCCO2)C(C1CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975384 |
