| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HYU9pTHexeZ |
|---|---|
| Name | Oxepin |
| Alternate Name(s) | Oxepine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H6O |
| InChI | InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H |
| InChIKey | ATYBXHSAIOKLMG-UHFFFAOYSA-N |
| Molecular Weight | 94.113 g/mol |
| SMILES | C1=CC=CC=CO1 |
| SPLASH | splash10-014i-9000000000-3a8a1674e32f15f12c4b |
| Source of Spectrum | I-69-1340-3 |
| Wiley ID | 1117891 |