| SpectraBase Compound ID | CYMaQDsTYib |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-6-21(5,15-7-11-17(22)12-8-15)16-9-13-18(14-10-16)24-19(23)20(2,3)4/h7-14,22H,6H2,1-5H3 |
| InChIKey | VNGQREFAENSEDK-UHFFFAOYSA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C21H26O3 |
| Exact Mass | 326.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbkH6UvWKJw |
|---|---|
| Name | Bisphenol B, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.188194694 u |
| Formula | C21H26O3 |
| InChI | InChI=1S/C21H26O3/c1-6-21(5,15-7-11-17(22)12-8-15)16-9-13-18(14-10-16)24-19(23)20(2,3)4/h7-14,22H,6H2,1-5H3 |
| InChIKey | VNGQREFAENSEDK-UHFFFAOYSA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | C(CC)(C)(C1=CC=C(C=C1)O)C1=CC=C(C=C1)OC(C(C)(C)C)=O |