| SpectraBase Compound ID | HVqMe2muFBU |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-12-8-17(9-13(2)19(12)23)21(6,7)18-10-14(3)20(15(4)11-18)24-16(5)22/h8-11,23H,1-7H3 |
| InChIKey | XBDBIJNYMJKFLG-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 | gKPMDlltgC |
|---|---|
| Name | 2,2-bis(3,5-Dimethyl-4-hydroxyphenyl)propane, acetate |
| 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/c1-12-8-17(9-13(2)19(12)23)21(6,7)18-10-14(3)20(15(4)11-18)24-16(5)22/h8-11,23H,1-7H3 |
| InChIKey | XBDBIJNYMJKFLG-UHFFFAOYSA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | C1(OC(C)=O)=C(C=C(C=C1C)C(C)(C)C1=CC(=C(C(=C1)C)O)C)C |