| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JREqoZb7tgl |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Molecular Weight | 117.0577 |
| SMILES | c1cc(C)c(C#N)cc1 |
| SPLASH | splash10-014i-9800000000-76b9d8af69afe2123eb4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |