SpectraBase Spectrum ID |
I7VSOyXnz3y |
Name |
Benzamide, 2-bromo-N-methyl-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
297.072827267 u |
Formula |
C14H20BrNO |
InChI |
InChI=1S/C14H20BrNO/c1-3-4-5-8-11-16(2)14(17)12-9-6-7-10-13(12)15/h6-7,9-10H,3-5,8,11H2,1-2H3 |
InChIKey |
AJQJYZJGERGLID-UHFFFAOYSA-N |
Molecular Weight |
298.224 g/mol |
SMILES |
C(=O)(N(CCCCCC)C)C=1C=CC=CC1Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845283 |