| 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 | LItSkyZlSNj |
|---|---|
| Name | OXEPINE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H6O |
| InChI | InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H |
| InChIKey | ATYBXHSAIOKLMG-UHFFFAOYSA-N |
| Literature Reference Author | S.BERGER,A.RIEKER |
| Literature Reference Citation | ORG.MAGN.RES.,6,78(1974) |
| Literature Reference DOI | 10.1002/mrc.1270060205 |
| Molecular Weight | 94.113 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UNIW7841 |