| SpectraBase Spectrum ID |
LPFdw7m2Cl9 |
| Name |
2'-Chloro-5'-nitrononananilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.124070241 u |
| Formula |
C15H21ClN2O3 |
| InChI |
InChI=1S/C15H21ClN2O3/c1-2-3-4-5-6-7-8-15(19)17-14-11-12(18(20)21)9-10-13(14)16/h9-11H,2-8H2,1H3,(H,17,19) |
| InChIKey |
SGNPLLRJIWTAET-UHFFFAOYSA-N |
| Molecular Weight |
312.797 g/mol |
| SMILES |
N(C1=C(C=CC(=C1)N(=O)=O)Cl)C(CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.919811 |
