| SpectraBase Spectrum ID |
3rmEgCtYBje |
| Name |
Carbamic acid, N-(2-butyl)-N-(3-methylbutyl)-, propyl 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/c1-6-10-16-13(15)14(12(5)7-2)9-8-11(3)4/h11-12H,6-10H2,1-5H3 |
| InChIKey |
LWIRULLVVZRQLZ-UHFFFAOYSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
C(N(CCC(C)C)C(CC)C)(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967734 |
