SpectraBase Spectrum ID |
5kRL5U9m7Xx |
Name |
Cyclohexanecarboxamide, N-(2-pentyl)-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
351.350115072 u |
Formula |
C23H45NO |
InChI |
InChI=1S/C23H45NO/c1-4-6-7-8-9-10-11-12-16-20-24(21(3)17-5-2)23(25)22-18-14-13-15-19-22/h21-22H,4-20H2,1-3H3 |
InChIKey |
KNEDKVLJOPGJJZ-UHFFFAOYSA-N |
Molecular Weight |
351.619 g/mol |
SMILES |
C(N(C(CCC)C)C(C1CCCCC1)=O)CCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953063 |