| SpectraBase Compound ID | Lo5MxcLBfZR |
|---|---|
| InChI | InChI=1S/C22H28O3/c1-14-12-16(8-10-18(14)23)22(6,7)17-9-11-19(15(2)13-17)25-20(24)21(3,4)5/h8-13,23H,1-7H3 |
| InChIKey | NWCLKRXIARWZDD-UHFFFAOYSA-N |
| Mol Weight | 340.46 g/mol |
| Molecular Formula | C22H28O3 |
| Exact Mass | 340.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gFn8hZy7YH |
|---|---|
| Name | Bisphenol C, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.203844759 u |
| Formula | C22H28O3 |
| InChI | InChI=1S/C22H28O3/c1-14-12-16(8-10-18(14)23)22(6,7)17-9-11-19(15(2)13-17)25-20(24)21(3,4)5/h8-13,23H,1-7H3 |
| InChIKey | NWCLKRXIARWZDD-UHFFFAOYSA-N |
| Molecular Weight | 340.463 g/mol |
| SMILES | C(C)(C)(C1=CC(C)=C(C=C1)O)C1=CC(C)=C(C=C1)OC(C(C)(C)C)=O |