| SpectraBase Spectrum ID |
3J8n2ZTCx7Z |
| Name |
Benzamide, 3-bromo-N-methyl-N-(2-ethylhexyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.104127396 u |
| Formula |
C16H24BrNO |
| InChI |
InChI=1S/C16H24BrNO/c1-4-6-8-13(5-2)12-18(3)16(19)14-9-7-10-15(17)11-14/h7,9-11,13H,4-6,8,12H2,1-3H3 |
| InChIKey |
JSJVNHJUIIHPIO-UHFFFAOYSA-N |
| Molecular Weight |
326.278 g/mol |
| SMILES |
C(=O)(N(CC(CCCC)CC)C)C=1C=CC=C(Br)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896333 |
