| SpectraBase Spectrum ID |
9d9jRto5zlu |
| Name |
(Z)-dec-4-Enyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.147786430 u |
| Formula |
C17H22N2O6 |
| InChI |
InChI=1S/C17H22N2O6/c1-2-3-4-5-6-7-8-9-10-25-17(20)14-11-15(18(21)22)13-16(12-14)19(23)24/h6-7,11-13H,2-5,8-10H2,1H3/b7-6- |
| InChIKey |
MGPJETGWCBDIKR-SREVYHEPSA-N |
| Molecular Weight |
350.371 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCC\C=C/CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926405 |
