| SpectraBase Compound ID | BHspCMQJk5g |
|---|---|
| InChI | InChI=1S/C12H16O/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | KAHMLTOJMNOFDT-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FKCqPacpsLQ |
|---|---|
| Name | 2-Phenyloxepane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | KAHMLTOJMNOFDT-UHFFFAOYSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | C1(OCCCCC1)c1ccccc1 |
| SPLASH | splash10-0a6r-4900000000-3078f0f5c2e2f2cd4da3 |
| Source of Spectrum | H1-48-684-8 |
| Wiley ID | 816354 |