SpectraBase Spectrum ID |
ofyOAmNFf7 |
Name |
Carbonic acid, monoamide, N-propyl-N-isobutyl-, butyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
215.188529047 u |
Formula |
C12H25NO2 |
InChI |
InChI=1S/C12H25NO2/c1-5-7-9-15-12(14)13(8-6-2)10-11(3)4/h11H,5-10H2,1-4H3 |
InChIKey |
XYDZAOAHHNEHJT-UHFFFAOYSA-N |
Molecular Weight |
215.337 g/mol |
SMILES |
C(N(CCC)CC(C)C)(=O)OCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933326 |