| SpectraBase Spectrum ID |
5bYv1A9W2CB |
| Name |
Cyclopropylmethyl 2,4-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.053886044 u |
| Formula |
C11H10N2O6 |
| InChI |
InChI=1S/C11H10N2O6/c14-11(19-6-7-1-2-7)9-4-3-8(12(15)16)5-10(9)13(17)18/h3-5,7H,1-2,6H2 |
| InChIKey |
XXTXKCCSHDGFQY-UHFFFAOYSA-N |
| Molecular Weight |
266.209 g/mol |
| SMILES |
C(C1=C(C=C(C=C1)N(=O)=O)N(=O)=O)(=O)OCC1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978209 |
