| SpectraBase Compound ID | JCqxAVldUXW |
|---|---|
| InChI | InChI=1S/C15H12O4/c16-12-6-5-10(7-13(12)17)14-8-9-3-1-2-4-11(9)15(18)19-14/h1-7,14,16-17H,8H2 |
| InChIKey | DPXVSFQZIWUDJK-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C15H12O4 |
| Exact Mass | 256.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 99rhRX4Cl61 |
|---|---|
| Name | (+/-)-3-(3',4'-dihydroxyphenyl)-3,4-dihydroisocoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.073558862 u |
| Formula | C15H12O4 |
| InChI | InChI=1S/C15H12O4/c16-12-6-5-10(7-13(12)17)14-8-9-3-1-2-4-11(9)15(18)19-14/h1-7,14,16-17H,8H2 |
| InChIKey | DPXVSFQZIWUDJK-UHFFFAOYSA-N |
| Molecular Weight | 256.257 g/mol |
| SMILES | C1(=O)OC(CC2=C1C=CC=C2)C=1C=C(O)C(O)=CC1 |