| SpectraBase Spectrum ID |
CA9IdyyvPFX |
| Name |
2-Chloropropanoyl amide, N-(2-phenylethyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.248542482 u |
| Formula |
C22H36ClNO |
| InChI |
InChI=1S/C22H36ClNO/c1-3-4-5-6-7-8-9-10-14-18-24(22(25)20(2)23)19-17-21-15-12-11-13-16-21/h11-13,15-16,20H,3-10,14,17-19H2,1-2H3 |
| InChIKey |
IPTHDQXBZOXALE-UHFFFAOYSA-N |
| Molecular Weight |
365.989 g/mol |
| SMILES |
CC(Cl)C(=O)N(CCCCCCCCCCC)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92543 |
