![Benzyl[(4-bromophenyl)methyl]amine, N-acetyl-](/api/spectrum/4WOtelOchLg/structure.png?h=300&w=458 "Benzyl[(4-bromophenyl)methyl]amine, N-acetyl-")
| SpectraBase Compound ID | 8oMiBZ48xUA |
|---|---|
| InChI | InChI=1S/C16H16BrNO/c1-13(19)18(11-14-5-3-2-4-6-14)12-15-7-9-16(17)10-8-15/h2-10H,11-12H2,1H3 |
| InChIKey | PZOFVJSDCHFQRF-UHFFFAOYSA-N |
| Mol Weight | 318.21 g/mol |
| Molecular Formula | C16H16BrNO |
| Exact Mass | 317.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4WOtelOchLg |
|---|---|
| Name | Benzyl[(4-bromophenyl)methyl]amine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.041527138 u |
| Formula | C16H16BrNO |
| InChI | InChI=1S/C16H16BrNO/c1-13(19)18(11-14-5-3-2-4-6-14)12-15-7-9-16(17)10-8-15/h2-10H,11-12H2,1H3 |
| InChIKey | PZOFVJSDCHFQRF-UHFFFAOYSA-N |
| Molecular Weight | 318.214 g/mol |
| SMILES | C1(Br)=CC=C(C=C1)CN(CC1=CC=CC=C1)C(C)=O |