| SpectraBase Compound ID | 9zdFj2YA4su |
|---|---|
| InChI | InChI=1S/C23H20O5/c1-27-20-13-21-22(18(25)12-19(28-21)14-7-3-2-4-8-14)23(26)16(20)11-15-9-5-6-10-17(15)24/h2-10,13,19,24,26H,11-12H2,1H3 |
| InChIKey | CTWWMDVPBXRLBM-UHFFFAOYSA-N |
| Mol Weight | 376.41 g/mol |
| Molecular Formula | C23H20O5 |
| Exact Mass | 376.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lh10wsgQJ8l |
|---|---|
| Name | 7-o-Methylisochamanetin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.131073739 u |
| Formula | C23H20O5 |
| InChI | InChI=1S/C23H20O5/c1-27-20-13-21-22(18(25)12-19(28-21)14-7-3-2-4-8-14)23(26)16(20)11-15-9-5-6-10-17(15)24/h2-10,13,19,24,26H,11-12H2,1H3 |
| InChIKey | CTWWMDVPBXRLBM-UHFFFAOYSA-N |
| Molecular Weight | 376.408 g/mol |
| SMILES | C12=C(C(CC3=C(O)C=CC=C3)=C(C=C1OC(CC2=O)C=1C=CC=CC1)OC)O |