| SpectraBase Spectrum ID |
8b7V3rxWNNw |
| Name |
2-Chloropropanoyl amide, N-(2-phenylethyl)-N-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.092041838 u |
| Formula |
C12H16ClNO |
| InChI |
InChI=1S/C12H16ClNO/c1-10(13)12(15)14(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
NAXZIHBRNIXFRR-UHFFFAOYSA-N |
| Molecular Weight |
225.719 g/mol |
| SMILES |
CC(Cl)C(=O)N(C)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918431 |
