SpectraBase Compound ID | ExH3oHOk2yE |
---|---|
InChI | InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3 |
InChIKey | YOSJCQJJIHEUKA-UHFFFAOYSA-N |
Mol Weight | 200.08 g/mol |
Molecular Formula | C8H10BrN |
Exact Mass | 198.999662 g/mol |
SpectraBase Spectrum ID | 8N7eckwsxfO |
---|---|
Name | 2-Bromo-4,6-dimethylaniline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 198.999662326 u |
Formula | C8H10BrN |
InChI | InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3 |
InChIKey | YOSJCQJJIHEUKA-UHFFFAOYSA-N |
Molecular Weight | 200.079 g/mol |
SMILES | C1(Br)=C(N)C(=CC(=C1)C)C |
Spectrum/Structure Validation Score (Raman) | 0.801328 |