| SpectraBase Spectrum ID |
8oXgOi34VHo |
| Name |
5-Chlorovaleryl amide, N-(2-phenylethyl)-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.232892418 u |
| Formula |
C21H34ClNO |
| InChI |
InChI=1S/C21H34ClNO/c1-3-5-11-19(4-2)18-23(21(24)14-9-10-16-22)17-15-20-12-7-6-8-13-20/h6-8,12-13,19H,3-5,9-11,14-18H2,1-2H3 |
| InChIKey |
YWVXHTCAPUUHHC-UHFFFAOYSA-N |
| Molecular Weight |
351.962 g/mol |
| SMILES |
C1=CC=C(C=C1)CCN(C(CCCCCl)=O)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917722 |
