| SpectraBase Compound ID | BI5eKr2T79z |
|---|---|
| InChI | InChI=1S/C18H20ClN/c19-13-7-8-14-20(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7+ |
| InChIKey | VPFVXVIULBQLPW-BQYQJAHWSA-N |
| Mol Weight | 285.82 g/mol |
| Molecular Formula | C18H20ClN |
| Exact Mass | 285.128427 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77B2ARXNwly |
|---|---|
| Name | (E)-N,N-Dibenzyl-4-chloro-2-butenamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.128427348 u |
| Formula | C18H20ClN |
| InChI | InChI=1S/C18H20ClN/c19-13-7-8-14-20(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-12H,13-16H2/b8-7+ |
| InChIKey | VPFVXVIULBQLPW-BQYQJAHWSA-N |
| SMILES | C(N(CC=1C=CC=CC1)CC=1C=CC=CC1)\C=C\CCl |