| SpectraBase Compound ID | Cn9kJQox6Bx |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-13(2)20(23)24-19-10-8-17(12-15(19)4)21(5,6)16-7-9-18(22)14(3)11-16/h7-13,22H,1-6H3 |
| InChIKey | CRMHBSBHEREGMF-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 | DCNDl9Y6Yib |
|---|---|
| Name | Bisphenol C, 2-methylpropionate |
| 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/c1-13(2)20(23)24-19-10-8-17(12-15(19)4)21(5,6)16-7-9-18(22)14(3)11-16/h7-13,22H,1-6H3 |
| InChIKey | CRMHBSBHEREGMF-UHFFFAOYSA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | C(C)(C)(C1=CC(C)=C(C=C1)O)C1=CC(C)=C(C=C1)OC(C(C)C)=O |