| SpectraBase Spectrum ID |
BIar4SSxDVw |
| Name |
2-Chloropropanoyl amide, N-(2-phenylethyl)-N-octyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.201592289 u |
| Formula |
C19H30ClNO |
| InChI |
InChI=1S/C19H30ClNO/c1-3-4-5-6-7-11-15-21(19(22)17(2)20)16-14-18-12-9-8-10-13-18/h8-10,12-13,17H,3-7,11,14-16H2,1-2H3 |
| InChIKey |
DEOCMVNHTFBFKH-UHFFFAOYSA-N |
| Molecular Weight |
323.908 g/mol |
| SMILES |
CC(Cl)C(=O)N(CCCCCCCC)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917516 |
