| SpectraBase Compound ID | 9qLd0WjBq1X |
|---|---|
| InChI | InChI=1S/C14H13Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey | NWVGKFZMBBPAJL-UHFFFAOYSA-N |
| Mol Weight | 216.71 g/mol |
| Molecular Formula | C14H13Cl |
| Exact Mass | 216.070578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IToV1MYPsTW |
|---|---|
| Name | Bibenzyl, 3-chloro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.070578119 u |
| Formula | C14H13Cl |
| InChI | InChI=1S/C14H13Cl/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2 |
| InChIKey | NWVGKFZMBBPAJL-UHFFFAOYSA-N |
| Molecular Weight | 216.711 g/mol |
| SMILES | C1(=CC=CC=C1)CCC1=CC=CC(=C1)Cl |