| SpectraBase Spectrum ID |
4tUKUOj2ihq |
| Name |
Pentanamide, N-(4-fluoro-3-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.091020447 u |
| Formula |
C11H13FN2O3 |
| InChI |
InChI=1S/C11H13FN2O3/c1-2-3-4-11(15)13-8-5-6-9(12)10(7-8)14(16)17/h5-7H,2-4H2,1H3,(H,13,15) |
| InChIKey |
AJNYEMLGBXCAJD-UHFFFAOYSA-N |
| Molecular Weight |
240.234 g/mol |
| SMILES |
CCCCC(=O)NC1=CC=C(F)C(=C1)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925047 |
