SpectraBase Spectrum ID |
7f9JTU5z8FO |
Name |
2-Bromo-N-(2,4-dimethylphenyl)acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.010227009 u |
Formula |
C10H12BrNO |
InChI |
InChI=1S/C10H12BrNO/c1-7-3-4-9(8(2)5-7)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13) |
InChIKey |
BVWPKNUTPOHFIR-UHFFFAOYSA-N |
Molecular Weight |
242.116 g/mol |
SMILES |
C(Br)C(=O)NC1=C(C=C(C=C1)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922661 |