| SpectraBase Spectrum ID |
ARmbjQhY88 |
| Name |
8-Chlorooctyl 3,5-dinitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.093164034 u |
| Formula |
C15H19ClN2O6 |
| InChI |
InChI=1S/C15H19ClN2O6/c16-7-5-3-1-2-4-6-8-24-15(19)12-9-13(17(20)21)11-14(10-12)18(22)23/h9-11H,1-8H2 |
| InChIKey |
XYJFAXKBTUZNEO-UHFFFAOYSA-N |
| Molecular Weight |
358.778 g/mol |
| SMILES |
C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCCCCCCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924075 |
