| SpectraBase Compound ID | Ks0zBfV3tXt |
|---|---|
| InChI | InChI=1S/C21H22O5/c1-13(2)20(23)25-16-11-9-15(10-12-16)19(22)17-7-5-6-8-18(17)26-21(24)14(3)4/h5-14H,1-4H3 |
| InChIKey | UERZTVHMMVOUGE-UHFFFAOYSA-N |
| Mol Weight | 354.4 g/mol |
| Molecular Formula | C21H22O5 |
| Exact Mass | 354.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RCQZn4Pr8F |
|---|---|
| Name | 2,4'-Dihydroxybenzophenone, bis(2-methylpropionate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.146723803 u |
| Formula | C21H22O5 |
| InChI | InChI=1S/C21H22O5/c1-13(2)20(23)25-16-11-9-15(10-12-16)19(22)17-7-5-6-8-18(17)26-21(24)14(3)4/h5-14H,1-4H3 |
| InChIKey | UERZTVHMMVOUGE-UHFFFAOYSA-N |
| Molecular Weight | 354.402 g/mol |
| SMILES | C1(OC(C(C)C)=O)=C(C=CC=C1)C(=O)C1=CC=C(C=C1)OC(C(C)C)=O |