| SpectraBase Spectrum ID |
45dNrI2xLIf |
| Name |
2,2-Dinitropropane-1,3-diyl diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.043715282 u |
| Formula |
C7H10N2O8 |
| InChI |
InChI=1S/C7H10N2O8/c1-5(10)16-3-7(8(12)13,9(14)15)4-17-6(2)11/h3-4H2,1-2H3 |
| InChIKey |
RSGCCUKMNVZQGQ-UHFFFAOYSA-N |
| Molecular Weight |
250.163 g/mol |
| SMILES |
C(C(COC(C)=O)(N(=O)=O)N(=O)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939047 |
