| SpectraBase Spectrum ID |
80jhgcwli7T |
| Name |
5-Chlorovaleryl amide, N-(2-phenylethyl)-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.217242353 u |
| Formula |
C20H32ClNO |
| InChI |
InChI=1S/C20H32ClNO/c1-2-3-4-5-11-17-22(20(23)14-9-10-16-21)18-15-19-12-7-6-8-13-19/h6-8,12-13H,2-5,9-11,14-18H2,1H3 |
| InChIKey |
FJJGXYOKUNOPEM-UHFFFAOYSA-N |
| Molecular Weight |
337.935 g/mol |
| SMILES |
C1=CC=C(C=C1)CCN(C(CCCCCl)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948775 |
