| SpectraBase Spectrum ID |
EpfHZ9DrNTR |
| Name |
2,2-Dichloroethyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.960291315 u |
| Formula |
C9H6Cl2N2O6 |
| InChI |
InChI=1S/C9H6Cl2N2O6/c10-8(11)4-19-9(14)5-1-6(12(15)16)3-7(2-5)13(17)18/h1-3,8H,4H2 |
| InChIKey |
HLDOIZVVCCPUCS-UHFFFAOYSA-N |
| Molecular Weight |
309.061 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961969 |
