| SpectraBase Compound ID | EgkfRsGB2i6 |
|---|---|
| InChI | InChI=1S/C19H12O5/c20-17-11(10-23-15-7-3-1-5-12(15)17)9-14-18(21)13-6-2-4-8-16(13)24-19(14)22/h1-8,10,21H,9H2 |
| InChIKey | NLZQJWHBNLZWRM-UHFFFAOYSA-N |
| Mol Weight | 320.3 g/mol |
| Molecular Formula | C19H12O5 |
| Exact Mass | 320.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86YPyccVANo |
|---|---|
| Name | 4-Hydroxy-3-(4-oxo-4H-1-benzopyran-3-yl)methylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.068473481 u |
| Formula | C19H12O5 |
| InChI | InChI=1S/C19H12O5/c20-17-11(10-23-15-7-3-1-5-12(15)17)9-14-18(21)13-6-2-4-8-16(13)24-19(14)22/h1-8,10,21H,9H2 |
| InChIKey | NLZQJWHBNLZWRM-UHFFFAOYSA-N |
| Molecular Weight | 320.300 g/mol |
| SMILES | C1(OC=2C=CC=CC2C(=C1CC1=COC=2C(C1=O)=CC=CC2)O)=O |