| SpectraBase Spectrum ID |
5jYNhHCWjnt |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-(2-ethylhexyl)-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.227807037 u |
| Formula |
C17H34ClNO2 |
| InChI |
InChI=1S/C17H34ClNO2/c1-5-8-11-16(7-3)14-19(15(4)10-6-2)17(20)21-13-9-12-18/h15-16H,5-14H2,1-4H3 |
| InChIKey |
PPZZWEBPRFTTOH-UHFFFAOYSA-N |
| Molecular Weight |
319.917 g/mol |
| SMILES |
CCCC(C)N(C(OCCCCl)=O)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967034 |
