SpectraBase Spectrum ID |
7YwkEYpaY86 |
Name |
Propionamide, 2-bromo-N-propyl-N-tetradecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
389.229327911 u |
Formula |
C20H40BrNO |
InChI |
InChI=1S/C20H40BrNO/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22(17-5-2)20(23)19(3)21/h19H,4-18H2,1-3H3 |
InChIKey |
UBDRVMKXOHQTKL-UHFFFAOYSA-N |
Molecular Weight |
390.450 g/mol |
SMILES |
C(N(CCCCCCCCCCCCCC)CCC)(=O)C(C)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902862 |