SpectraBase Spectrum ID |
8oSWaiEGWug |
Name |
Valeramide, 2-propyl-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
213.209264492 u |
Formula |
C13H27NO |
InChI |
InChI=1S/C13H27NO/c1-5-7-12(8-6-2)13(15)14-10-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,14,15) |
InChIKey |
ZQAJQSIROFNICU-UHFFFAOYSA-N |
Molecular Weight |
213.365 g/mol |
SMILES |
CCCC(C(NCCC(C)C)=O)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982425 |