| SpectraBase Spectrum ID |
2XPlqI8F01P |
| Name |
Carbonic acid, monoamide, N-propyl-N-(2-ethylhexyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.204179111 u |
| Formula |
C13H27NO2 |
| InChI |
InChI=1S/C13H27NO2/c1-5-8-9-12(7-3)11-14(10-6-2)13(15)16-4/h12H,5-11H2,1-4H3 |
| InChIKey |
AKLAZPWZFUWKGT-UHFFFAOYSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
C(N(CCC)CC(CCCC)CC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954124 |
