| SpectraBase Spectrum ID |
JH3Bk892ssP |
| Name |
Carbonic acid, monoamide, N-isobutyl-, 2-ethylhexyl 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/c1-5-7-8-12(6-2)10-16-13(15)14-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15) |
| InChIKey |
VVDGCTGRBHFZRJ-UHFFFAOYSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
C(NCC(C)C)(=O)OCC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98156 |
