| SpectraBase Compound ID | 4AC3B40atc3 |
|---|---|
| InChI | InChI=1S/C14H14ClN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2 |
| InChIKey | GXANNDMRRFEMAA-UHFFFAOYSA-N |
| Mol Weight | 231.73 g/mol |
| Molecular Formula | C14H14ClN |
| Exact Mass | 231.081477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JdxzXlpxDP |
|---|---|
| Name | N-Benzyl(3-chlorophenyl)methanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.081477155 u |
| Formula | C14H14ClN |
| InChI | InChI=1S/C14H14ClN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2 |
| InChIKey | GXANNDMRRFEMAA-UHFFFAOYSA-N |
| Molecular Weight | 231.726 g/mol |
| SMILES | C(NCC1=CC=CC=C1)C1=CC(Cl)=CC=C1 |