SpectraBase Spectrum ID |
Fw9Ii2Y9OSP |
Name |
N-(4,6-Difluoro-2-nitrobenzyl)phthalimide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
318.045213068 u |
Formula |
C15H8F2N2O4 |
InChI |
InChI=1S/C15H8F2N2O4/c16-8-5-12(17)11(13(6-8)19(22)23)7-18-14(20)9-3-1-2-4-10(9)15(18)21/h1-6H,7H2 |
InChIKey |
JCWRTSBSRWCYOA-UHFFFAOYSA-N |
Molecular Weight |
318.236 g/mol |
SMILES |
C1(=O)C=2C(C(=O)N1CC=1C(=CC(=CC1F)F)N(=O)=O)=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969937 |