| SpectraBase Spectrum ID |
jwwyzy8RB0 |
| Name |
Isonipecotic acid, N-(2-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/c1-3-4-5-6-7-8-9-10-11-16-25-20(24)18-12-14-22(15-13-18)19(23)17(2)21/h17-18H,3-16H2,1-2H3 |
| InChIKey |
JUOOUCGLXUZMDZ-UHFFFAOYSA-N |
| Molecular Weight |
373.965 g/mol |
| SMILES |
CCCCCCCCCCCOC(C1CCN(C(=O)C(C)Cl)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884376 |
