| SpectraBase Spectrum ID |
AQD7RHMJxtj |
| Name |
Benzamide, 4-bromo-N-(2-butyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.198027782 u |
| Formula |
C22H36BrNO |
| InChI |
InChI=1S/C22H36BrNO/c1-4-6-7-8-9-10-11-12-13-18-24(19(3)5-2)22(25)20-14-16-21(23)17-15-20/h14-17,19H,4-13,18H2,1-3H3 |
| InChIKey |
VOIDZYCXVUOPLI-UHFFFAOYSA-N |
| Molecular Weight |
410.440 g/mol |
| SMILES |
C(=O)(N(CCCCCCCCCCC)C(CC)C)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85444 |
