| SpectraBase Spectrum ID |
1kOyIl3giHr |
| Name |
4-Methylpentan-2-yl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.100836237 u |
| Formula |
C13H16N2O6 |
| InChI |
InChI=1S/C13H16N2O6/c1-8(2)4-9(3)21-13(16)10-5-11(14(17)18)7-12(6-10)15(19)20/h5-9H,4H2,1-3H3 |
| InChIKey |
FVIPWDDUSKMZEQ-UHFFFAOYSA-N |
| Molecular Weight |
296.279 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941765 |
