SpectraBase Spectrum ID |
8tf85KtiZ4k |
Name |
Benzamide, 2-bromo-N-(2-butyl)-N-propyl- |
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/c1-4-10-16(11(3)5-2)14(17)12-8-6-7-9-13(12)15/h6-9,11H,4-5,10H2,1-3H3 |
InChIKey |
NOEBBVNTLBVNOQ-UHFFFAOYSA-N |
Molecular Weight |
298.224 g/mol |
SMILES |
C(=O)(N(CCC)C(CC)C)C=1C(Br)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818601 |