| SpectraBase Spectrum ID |
EnntbpmasBN |
| Name |
8,9-Dinitro-2,3,4,5-tetrahydro-1,6-benzodioxocin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.053886044 u |
| Formula |
C10H10N2O6 |
| InChI |
InChI=1S/C10H10N2O6/c13-11(14)7-5-9-10(6-8(7)12(15)16)18-4-2-1-3-17-9/h5-6H,1-4H2 |
| InChIKey |
CFYODSMUEICLFM-UHFFFAOYSA-N |
| Molecular Weight |
254.198 g/mol |
| SMILES |
C1(=C(N(=O)=O)C=C2C(=C1)OCCCCO2)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871791 |
