| SpectraBase Compound ID | IhlIioylJ7n |
|---|---|
| InChI | InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H |
| InChIKey | ATYBXHSAIOKLMG-UHFFFAOYSA-N |
| Mol Weight | 94.11 g/mol |
| Molecular Formula | C6H6O |
| Exact Mass | 94.041865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HVhEGrmeBFg |
|---|---|
| Name | Oxepin |
| CAS Registry Number | 291-70-3 |
| Comments | VALENCE-TAUTOMERISM WITH BENZENE-1,2-DIOXIDE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C6H6O |
| InChI | InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H |
| InChIKey | ATYBXHSAIOKLMG-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | R. Wehner, H. Guenther, Chem. Ber. 107, 3149 (1974). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |