| SpectraBase Compound ID | 6TKplaQoO9G |
|---|---|
| InChI | InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
| InChIKey | NWPNXBQSRGKSJB-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 | EOKMEVI1AOt |
|---|---|
| Name | ORTHO-CYANOTOLUOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
| InChIKey | NWPNXBQSRGKSJB-UHFFFAOYSA-N |
| Literature Reference Author | W.B.SMITH,T.W.PROULX |
| Literature Reference Citation | ORG.MAGN.RES.,8,567(1976) |
| Literature Reference DOI | 10.1002/mrc.1270081107 |
| Molecular Weight | 117.150 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW6726 |