| SpectraBase Compound ID | 3M0HhZcdBnI |
|---|---|
| InChI | InChI=1S/C20H16O7/c1-11(21)26-18-8-15-17(9-19(18)27-12(2)22)25-10-16(20(15)23)13-4-6-14(24-3)7-5-13/h4-10H,1-3H3 |
| InChIKey | MFUXKMMYXWNBQN-UHFFFAOYSA-N |
| Mol Weight | 368.34 g/mol |
| Molecular Formula | C20H16O7 |
| Exact Mass | 368.089603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6njSQD3rgB |
|---|---|
| Name | Texasin, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.089602848 u |
| Formula | C20H16O7 |
| InChI | InChI=1S/C20H16O7/c1-11(21)26-18-8-15-17(9-19(18)27-12(2)22)25-10-16(20(15)23)13-4-6-14(24-3)7-5-13/h4-10H,1-3H3 |
| InChIKey | MFUXKMMYXWNBQN-UHFFFAOYSA-N |
| Molecular Weight | 368.341 g/mol |
| SMILES | C1=2OC=C(C(C2C=C(C(=C1)OC(C)=O)OC(C)=O)=O)C1=CC=C(C=C1)OC |