SpectraBase Spectrum ID |
3sr58FeWdd0 |
Name |
Propionamide, 2-bromo-N-propyl-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
445.291928169 u |
Formula |
C24H48BrNO |
InChI |
InChI=1S/C24H48BrNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(21-5-2)24(27)23(3)25/h23H,4-22H2,1-3H3 |
InChIKey |
QYZBUMFBWWTQDO-UHFFFAOYSA-N |
Molecular Weight |
446.558 g/mol |
SMILES |
C(N(CCCCCCCCCCCCCCCCCC)CCC)(=O)C(C)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900699 |