| SpectraBase Compound ID | 8sK1FYWY1Rx |
|---|---|
| InChI | InChI=1S/C20H22O3/c1-14(21)22-16-11-9-15(10-12-16)20(4)13-19(2,3)23-18-8-6-5-7-17(18)20/h5-12H,13H2,1-4H3 |
| InChIKey | ANNHUPJJZCHUHP-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C20H22O3 |
| Exact Mass | 310.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kqrCVkjdrn |
|---|---|
| Name | 2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.156894565 u |
| Formula | C20H22O3 |
| InChI | InChI=1S/C20H22O3/c1-14(21)22-16-11-9-15(10-12-16)20(4)13-19(2,3)23-18-8-6-5-7-17(18)20/h5-12H,13H2,1-4H3 |
| InChIKey | ANNHUPJJZCHUHP-UHFFFAOYSA-N |
| Molecular Weight | 310.393 g/mol |
| SMILES | C1(OC2=C(C(C1)(C)C1=CC=C(C=C1)OC(C)=O)C=CC=C2)(C)C |