| SpectraBase Spectrum ID |
Kho9xeFOxtq |
| Name |
2-Chloropropanoyl amide, N-(2-phenylethyl)-N-ethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.107691903 u |
| Formula |
C13H18ClNO |
| InChI |
InChI=1S/C13H18ClNO/c1-3-15(13(16)11(2)14)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3 |
| InChIKey |
ZPWMHCGGMGOLMB-UHFFFAOYSA-N |
| Molecular Weight |
239.746 g/mol |
| SMILES |
CC(Cl)C(=O)N(CC)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938968 |
