SpectraBase Spectrum ID |
bIG5Oiixm4 |
Name |
Bromacetamide, N-octadecyl- |
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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(23)19-21/h2-19H2,1H3,(H,22,23) |
InChIKey |
DKNQDZVKKFNKSU-UHFFFAOYSA-N |
Molecular Weight |
390.450 g/mol |
SMILES |
C(C(=O)NCCCCCCCCCCCCCCCCCC)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895228 |