| SpectraBase Spectrum ID |
22New3U9Abn |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-propyl-, isobutyl 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/c1-6-8-12(5)14(9-7-2)13(15)16-10-11(3)4/h11-12H,6-10H2,1-5H3 |
| InChIKey |
SCPPRXUGCJIDPZ-UHFFFAOYSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
CCCC(C)N(C(OCC(C)C)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980031 |
