| SpectraBase Spectrum ID |
HZRS38zHn2 |
| Name |
3,3-Dimethylbutan-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(13(2,3)4)21-12(16)9-5-10(14(17)18)7-11(6-9)15(19)20/h5-8H,1-4H3 |
| InChIKey |
HAXSCMWRBHTBLA-UHFFFAOYSA-N |
| Molecular Weight |
296.279 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940375 |
