| SpectraBase Spectrum ID |
BEwYhcMji8F |
| Name |
Pentanamide, N,N-bis(2-ethylhexyl)-5-bromo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.244977975 u |
| Formula |
C21H42BrNO |
| InChI |
InChI=1S/C21H42BrNO/c1-5-9-13-19(7-3)17-23(21(24)15-11-12-16-22)18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey |
LUNGCQXCRGMSAN-UHFFFAOYSA-N |
| Molecular Weight |
404.477 g/mol |
| SMILES |
CCCCC(CN(C(CCCCBr)=O)CC(CCCC)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807373 |
