| SpectraBase Compound ID | Az9XaAtCU1X |
|---|---|
| InChI | InChI=1S/C16H12O4/c17-15(18)11-6-2-1-5-10(11)9-14-12-7-3-4-8-13(12)16(19)20-14/h1-8,14H,9H2,(H,17,18) |
| InChIKey | QTJSKUCNPMCNDA-UHFFFAOYSA-N |
| Mol Weight | 268.27 g/mol |
| Molecular Formula | C16H12O4 |
| Exact Mass | 268.073559 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 | JFS5SdFxC2m |
|---|---|
| Name | 2-(3-oxo-1,3-Dihydroisobenzofuran-1-ylmethyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.073558862 u |
| Formula | C16H12O4 |
| InChI | InChI=1S/C16H12O4/c17-15(18)11-6-2-1-5-10(11)9-14-12-7-3-4-8-13(12)16(19)20-14/h1-8,14H,9H2,(H,17,18) |
| InChIKey | QTJSKUCNPMCNDA-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(C=2C1=CC=CC2)CC1=CC=CC=C1C(=O)O |