| SpectraBase Compound ID | BJ0M8JV0Fc0 |
|---|---|
| InChI | InChI=1S/C15H13N/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h2-9H,10H2,1H3 |
| InChIKey | VNDLDVFEYXXYGE-UHFFFAOYSA-N |
| Mol Weight | 207.28 g/mol |
| Molecular Formula | C15H13N |
| Exact Mass | 207.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H1KmMoH1wjm |
|---|---|
| Name | (4'-Methylbiphenyl-4-yl)-acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.104799423 u |
| Formula | C15H13N |
| InChI | InChI=1S/C15H13N/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h2-9H,10H2,1H3 |
| InChIKey | VNDLDVFEYXXYGE-UHFFFAOYSA-N |
| Molecular Weight | 207.276 g/mol |
| SMILES | C(#N)CC=1C=CC(=CC1)C=1C=CC(=CC1)C |