| SpectraBase Spectrum ID |
GGQcTUmSQ8t |
| Name |
7,8-Dinitro-3,4-dihydro-2H-1,5-benzodioxepin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.038235980 u |
| Formula |
C9H8N2O6 |
| InChI |
InChI=1S/C9H8N2O6/c12-10(13)6-4-8-9(5-7(6)11(14)15)17-3-1-2-16-8/h4-5H,1-3H2 |
| InChIKey |
XZKFDTXPPJUINM-UHFFFAOYSA-N |
| Molecular Weight |
240.171 g/mol |
| SMILES |
C1(=C(N(=O)=O)C=C2C(=C1)OCCCO2)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924045 |
