SpectraBase Spectrum ID |
Id4brDM95UN |
Name |
Carbonic acid, monoamide, N-propyl-N-(3-methylbutyl)-, but-2-yn-1-yl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.172878983 u |
Formula |
C13H23NO2 |
InChI |
InChI=1S/C13H23NO2/c1-5-7-11-16-13(15)14(9-6-2)10-8-12(3)4/h12H,6,8-11H2,1-4H3 |
InChIKey |
AMNVDPGYSTXEPM-UHFFFAOYSA-N |
Molecular Weight |
225.332 g/mol |
SMILES |
C(=O)(OCC#CC)N(CCC)CCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88616 |