| SpectraBase Spectrum ID |
HTyCahQIXkM |
| Name |
Benzamide, 3-bromo-N-methyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.088477331 u |
| Formula |
C15H22BrNO |
| InChI |
InChI=1S/C15H22BrNO/c1-3-4-5-6-7-11-17(2)15(18)13-9-8-10-14(16)12-13/h8-10,12H,3-7,11H2,1-2H3 |
| InChIKey |
HLBSYJIXCHTVJT-UHFFFAOYSA-N |
| Molecular Weight |
312.251 g/mol |
| SMILES |
C(=O)(N(CCCCCCC)C)C=1C=CC=C(Br)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94069 |
