| SpectraBase Compound ID | CjEfw6LXRLa |
|---|---|
| InChI | InChI=1S/C9H6N2/c1-7-2-3-8(5-10)4-9(7)6-11/h2-4H,1H3/i6+1 |
| InChIKey | KWSRDTCYJMRAAD-PTQBSOBMSA-N |
| Mol Weight | 143.15 g/mol |
| Molecular Formula | C813CH6N2 |
| Exact Mass | 143.056453 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4JkCpkBCDZc |
|---|---|
| Name | .alpha.-(13C-Cyano)-4-cyanotoluene |
| Comments | Original formula: C8[13C]H6N2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H6N2 |
| InChI | InChI=1S/C9H6N2/c1-7-2-3-8(5-10)4-9(7)6-11/h2-4H,1H3/i6+1 |
| InChIKey | KWSRDTCYJMRAAD-PTQBSOBMSA-N |
| Molecular Weight | 143.153 g/mol |
| SMILES | c1([13C]#N)c(ccc(C#N)c1)C |
| SPLASH | splash10-0006-2900000000-28bf8ddb3ee5ca042f54 |
| Source of Spectrum | OS-5-254-0 |
| Wiley ID | 82824 |