| SpectraBase Spectrum ID |
6P0DTDSw2y6 |
| Name |
L-Proline, N-(3-chloropropionyl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.222721656 u |
| Formula |
C19H34ClNO3 |
| InChI |
InChI=1S/C19H34ClNO3/c1-2-3-4-5-6-7-8-9-10-16-24-19(23)17-12-11-15-21(17)18(22)13-14-20/h17H,2-16H2,1H3 |
| InChIKey |
WRTASDDWXNAKLU-UHFFFAOYSA-N |
| Molecular Weight |
359.938 g/mol |
| SMILES |
C(C(N1CCCC1C(=O)OCCCCCCCCCCC)=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839579 |
