| SpectraBase Compound ID | BUMX0EPkAHv |
|---|---|
| InChI | InChI=1S/C16H16BrN/c1-2-7-16(13-8-6-9-14(17)12-13)18-15-10-4-3-5-11-15/h2-6,8-12,16,18H,1,7H2 |
| InChIKey | AYBVFOGFOMPGOX-UHFFFAOYSA-N |
| Mol Weight | 302.22 g/mol |
| Molecular Formula | C16H16BrN |
| Exact Mass | 301.046613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bsbMZiZjXm |
|---|---|
| Name | 1-(3-Bromophenyl)but-3-enyl-phenyl-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.046612519 u |
| Formula | C16H16BrN |
| InChI | InChI=1S/C16H16BrN/c1-2-7-16(13-8-6-9-14(17)12-13)18-15-10-4-3-5-11-15/h2-6,8-12,16,18H,1,7H2 |
| InChIKey | AYBVFOGFOMPGOX-UHFFFAOYSA-N |
| Molecular Weight | 302.215 g/mol |
| SMILES | C(NC=1C=CC=CC1)(C=1C=C(Br)C=CC1)CC=C |