SpectraBase Spectrum ID |
3q441K6mF0t |
Name |
Hexanamide, 2-bromo-N-(2-pentyl)-N-dodecyl- |
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/c1-5-8-10-11-12-13-14-15-16-17-20-25(21(4)18-7-3)23(26)22(24)19-9-6-2/h21-22H,5-20H2,1-4H3 |
InChIKey |
GQLFMZRQKOSMSC-UHFFFAOYSA-N |
Molecular Weight |
432.531 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)C(CCCC)Br)CCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824913 |