| SpectraBase Spectrum ID |
Pl4y0DjTaL |
| Name |
Isonipecotic acid, 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 |
373.238371720 u |
| Formula |
C20H36ClNO3 |
| InChI |
InChI=1S/C20H36ClNO3/c1-2-3-4-5-6-7-8-9-10-17-25-20(24)18-12-15-22(16-13-18)19(23)11-14-21/h18H,2-17H2,1H3 |
| InChIKey |
TZESQTHBSMGXRE-UHFFFAOYSA-N |
| Molecular Weight |
373.965 g/mol |
| SMILES |
CCCCCCCCCCCOC(C1CCN(C(CCCl)=O)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887527 |
