| SpectraBase Spectrum ID |
9jmVCyVWcaJ |
| Name |
2,2-bis(Chloranyl)-N-(3-phenylpropyl)ethanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.037419442 u |
| Formula |
C11H13Cl2NO |
| InChI |
InChI=1S/C11H13Cl2NO/c12-10(13)11(15)14-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,14,15) |
| InChIKey |
NFRHHUVLPRPCQF-UHFFFAOYSA-N |
| Molecular Weight |
246.137 g/mol |
| SMILES |
C(C(Cl)Cl)(=O)NCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869628 |
