| SpectraBase Compound ID | CSUjW7LZ5OY |
|---|---|
| InChI | InChI=1S/C6H6IN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2 |
| InChIKey | KQLHSXTTZXUVCW-UHFFFAOYSA-N |
| Mol Weight | 219.03 g/mol |
| Molecular Formula | C6H6IN |
| Exact Mass | 218.954494 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASUsyjTbcWX |
|---|---|
| Name | KQLHSXTTZXUVCW-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H6IN |
| InChI | InChI=1S/C6H6IN/c7-5-6-1-3-8-4-2-6/h1-4H,5H2 |
| InChIKey | KQLHSXTTZXUVCW-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 219.025 g/mol |
| Source File Reference | MHKO2453 |