| SpectraBase Compound ID | AkvDpWN5qCo |
|---|---|
| InChI | InChI=1S/C8H8/c1-3-6-7-4-2-5(1)8(6)7/h1-8H/t5-,6+,7-,8+ |
| InChIKey | VEAPRCKNPMGWCP-KVFPUHGPSA-N |
| Mol Weight | 104.15 g/mol |
| Molecular Formula | C8H8 |
| Exact Mass | 104.0626 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3U8crGfdxdY |
|---|---|
| Name | Semibullvalene |
| CAS Registry Number | 6909-37-1 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H8 |
| InChI | InChI=1S/C8H8/c1-3-6-7-4-2-5(1)8(6)7/h1-8H/t5-,6+,7-,8+ |
| InChIKey | VEAPRCKNPMGWCP-KVFPUHGPSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | L.A. Paquette, R.K. Russell, R.L.Burson, J. Am. Chem. Soc. 97, 6124 (1975). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |