| SpectraBase Spectrum ID |
9m8Ne6jectT |
| Name |
3'-Chloro-4'-nitrooctananilide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.108420177 u |
| Formula |
C14H19ClN2O3 |
| InChI |
InChI=1S/C14H19ClN2O3/c1-2-3-4-5-6-7-14(18)16-11-8-9-13(17(19)20)12(15)10-11/h8-10H,2-7H2,1H3,(H,16,18) |
| InChIKey |
UAKAWWKFQDHBQN-UHFFFAOYSA-N |
| Molecular Weight |
298.770 g/mol |
| SMILES |
N(C1=CC=C(C(=C1)Cl)N(=O)=O)C(CCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.967985 |
