| SpectraBase Compound ID | JcPUE67T49p |
|---|---|
| InChI | InChI=1S/C16H12O2/c17-15-11-10-12-6-4-5-9-14(12)16(18-15)13-7-2-1-3-8-13/h1-11,16H |
| InChIKey | QNQVQWHOELWJFT-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C16H12O2 |
| Exact Mass | 236.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3IYSATYuzoI |
|---|---|
| Name | 1-Phenyl-1H-2-benzoxepin-3-one |
| CAS Registry Number | 79692-02-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H12O2 |
| InChI | InChI=1S/C16H12O2/c17-15-11-10-12-6-4-5-9-14(12)16(18-15)13-7-2-1-3-8-13/h1-11,16H |
| InChIKey | QNQVQWHOELWJFT-UHFFFAOYSA-N |
| Molecular Weight | 236.270 g/mol |
| SMILES | C1(OC(C=Cc2c1cccc2)=O)c1ccccc1 |
| SPLASH | splash10-0a4i-1960000000-477b6e009ec3a8f6f520 |
| Source of Spectrum | B-34-1478-0 |
| Wiley ID | 1238897 |