SpectraBase Spectrum ID |
L5NhEprRncc |
Name |
Propionamide, 3-bromo-N-(2-pentyl)-N-pentadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
431.276278104 u |
Formula |
C23H46BrNO |
InChI |
InChI=1S/C23H46BrNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-25(22(3)18-5-2)23(26)19-20-24/h22H,4-21H2,1-3H3 |
InChIKey |
LLXGAKPRPVKETD-UHFFFAOYSA-N |
Molecular Weight |
432.531 g/mol |
SMILES |
C(N(CCCCCCCCCCCCCCC)C(CCC)C)(=O)CCBr |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855421 |