| SpectraBase Compound ID | IIvwXzLRDGz |
|---|---|
| InChI | InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | SUSQOBVLVYHIEX-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C8H7N |
| Exact Mass | 117.057849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Qspl7RCwmn |
|---|---|
| Name | Benzeneacetonitrile |
| CAS Registry Number | 140-29-4 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | SUSQOBVLVYHIEX-UHFFFAOYSA-N |
| Instrument Name | Jeol FX-60 |
| Literature Reference | M.J. Shapiro, J. Org. Chem. 41, 3197 (1976). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |