| SpectraBase Compound ID | FikPgZhtvaZ |
|---|---|
| InChI | InChI=1S/C20H22O3/c1-15(21)23-19-11-7-17(8-12-19)20(13-3-2-4-14-20)16-5-9-18(22)10-6-16/h5-12,22H,2-4,13-14H2,1H3 |
| InChIKey | LVZSYSZASKSXGI-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C20H22O3 |
| Exact Mass | 310.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bcaD5TvbWQ |
|---|---|
| Name | Bisphenol Z, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.156894565 u |
| Formula | C20H22O3 |
| InChI | InChI=1S/C20H22O3/c1-15(21)23-19-11-7-17(8-12-19)20(13-3-2-4-14-20)16-5-9-18(22)10-6-16/h5-12,22H,2-4,13-14H2,1H3 |
| InChIKey | LVZSYSZASKSXGI-UHFFFAOYSA-N |
| Molecular Weight | 310.393 g/mol |
| SMILES | C1CCCCC1(C1=CC=C(C=C1)OC(C)=O)C1=CC=C(O)C=C1 |