| SpectraBase Spectrum ID |
4J4JAOHkFto |
| Name |
Carbonic acid, monoamide, N-propyl-N-hexyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.165206779 u |
| Formula |
C13H26ClNO2 |
| InChI |
InChI=1S/C13H26ClNO2/c1-3-5-6-7-11-15(10-4-2)13(16)17-12-8-9-14/h3-12H2,1-2H3 |
| InChIKey |
AHTMWBDNDQYLDE-UHFFFAOYSA-N |
| Molecular Weight |
263.809 g/mol |
| SMILES |
C(=O)(OCCCCl)N(CCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942981 |
