| SpectraBase Compound ID | DUKLiSt4Ih8 |
|---|---|
| InChI | InChI=1S/C18H14BrN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H |
| InChIKey | YDXLVFKTOSKBKT-UHFFFAOYSA-N |
| Mol Weight | 324.22 g/mol |
| Molecular Formula | C18H14BrN |
| Exact Mass | 323.030962 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HHumNZmXCnC |
|---|---|
| Name | 3-Bromotriphenylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.030962455 u |
| Formula | C18H14BrN |
| InChI | InChI=1S/C18H14BrN/c19-15-8-7-13-18(14-15)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H |
| InChIKey | YDXLVFKTOSKBKT-UHFFFAOYSA-N |
| Molecular Weight | 324.221 g/mol |
| SMILES | C1=CC=CC(=C1)N(C=1C=CC=C(C1)Br)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.98616 |