| SpectraBase Compound ID | FVPTOcFA0I6 |
|---|---|
| InChI | InChI=1S/C21H16O4/c1-15-12-18(24-20(22)16-8-4-2-5-9-16)14-19(13-15)25-21(23)17-10-6-3-7-11-17/h2-14H,1H3 |
| InChIKey | AUQZHPLWIXEVCC-UHFFFAOYSA-N |
| Mol Weight | 332.36 g/mol |
| Molecular Formula | C21H16O4 |
| Exact Mass | 332.104859 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 | DAe2p5JgMqa |
|---|---|
| Name | 1,3-Benzenediol, 5-methyl-, dibenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.104858991 u |
| Formula | C21H16O4 |
| InChI | InChI=1S/C21H16O4/c1-15-12-18(24-20(22)16-8-4-2-5-9-16)14-19(13-15)25-21(23)17-10-6-3-7-11-17/h2-14H,1H3 |
| InChIKey | AUQZHPLWIXEVCC-UHFFFAOYSA-N |
| Molecular Weight | 332.355 g/mol |
| SMILES | CC1=CC(OC(=O)C2=CC=CC=C2)=CC(=C1)OC(=O)C1=CC=CC=C1 |