| SpectraBase Spectrum ID |
FB7NCpxfZk |
| Name |
Isonipecotic acid, N-(2-chloropropionyl)-, decyl 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/c1-3-4-5-6-7-8-9-10-15-24-19(23)17-11-13-21(14-12-17)18(22)16(2)20/h16-17H,3-15H2,1-2H3 |
| InChIKey |
IEQVDOTZFLREMU-UHFFFAOYSA-N |
| Molecular Weight |
359.938 g/mol |
| SMILES |
CCCCCCCCCCOC(C1CCN(C(=O)C(C)Cl)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876122 |
