SpectraBase Spectrum ID |
7zslzScX0y2 |
Name |
Cyclohexanecarboxamide, N-propyl-N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.209264492 u |
Formula |
C14H27NO |
InChI |
InChI=1S/C14H27NO/c1-4-10-15(11-12(2)3)14(16)13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3 |
InChIKey |
ZJECWOBTKXUXBL-UHFFFAOYSA-N |
Molecular Weight |
225.376 g/mol |
SMILES |
C(=O)(N(CCC)CC(C)C)C1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816987 |