| SpectraBase Compound ID | KOI8kwFezLD |
|---|---|
| InChI | InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H |
| InChIKey | LADCKIXFXIKHQM-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 | 17Wx53KkGxG |
|---|---|
| Name | 2,4,6-Cycloheptatriene-1-carbonitrile |
| CAS Registry Number | 13612-59-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H |
| InChIKey | LADCKIXFXIKHQM-UHFFFAOYSA-N |
| Molecular Weight | 117.151 g/mol |
| SMILES | C1=CC=CC(C=C1)C#N |
| SPLASH | splash10-014i-9700000000-d059db5186564661bd9c |
| Source of Spectrum | OS-6-245-0 |
| Synonyms | 1,3,5-Cycloheptatriene-7-carbonitrile 1-Cyano-2,4,6-cycloheptatriene 1-cyclohepta-2,4,6-trienecarbonitrile 2,4,6-Cycloheptatrienecarbonitrile 7-Cyano-1,3,5-cycloheptatriene 7-Cyanocycloheptatriene 7-cyanotropilidene cyclohepta-2,4,6-triene-1-carbonitrile |
| Wiley ID | 1126164 |