| SpectraBase Compound ID | 5wdArOdYkx3 |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-5-20(4,16-6-10-18(11-7-16)23-14(2)21)17-8-12-19(13-9-17)24-15(3)22/h6-13H,5H2,1-4H3 |
| InChIKey | PHJVOBYHSAHGHY-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CUM5VDJhMjG |
|---|---|
| Name | Bisphenol B, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-5-20(4,16-6-10-18(11-7-16)23-14(2)21)17-8-12-19(13-9-17)24-15(3)22/h6-13H,5H2,1-4H3 |
| InChIKey | PHJVOBYHSAHGHY-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C(CC)(C)(C1=CC=C(C=C1)OC(C)=O)C1=CC=C(C=C1)OC(C)=O |