| SpectraBase Spectrum ID |
D4PsBoIXIAg |
| Name |
Benzamide, 4-bromo-N-(2-butyl)-N-pentyl- |
| 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/c1-4-6-7-12-18(13(3)5-2)16(19)14-8-10-15(17)11-9-14/h8-11,13H,4-7,12H2,1-3H3 |
| InChIKey |
VDPXHVYKNDQPSP-UHFFFAOYSA-N |
| Molecular Weight |
326.278 g/mol |
| SMILES |
C(=O)(N(CCCCC)C(CC)C)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959358 |
