| SpectraBase Spectrum ID |
IcHkvQE6YmA |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-undecyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.274757230 u |
| Formula |
C20H40ClNO2 |
| InChI |
InChI=1S/C20H40ClNO2/c1-4-6-7-8-9-10-11-12-13-17-22(19(3)15-5-2)20(23)24-18-14-16-21/h19H,4-18H2,1-3H3 |
| InChIKey |
XMNKPIUFFAVALS-UHFFFAOYSA-N |
| Molecular Weight |
361.998 g/mol |
| SMILES |
CCCC(C)N(C(OCCCCl)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950776 |
