| SpectraBase Compound ID | BxBisqiP6PA |
|---|---|
| InChI | InChI=1S/C21H16O4/c1-15-8-7-11-17(14-15)25-21(23)19-13-6-5-12-18(19)20(22)24-16-9-3-2-4-10-16/h2-14H,1H3 |
| InChIKey | QVWCCFLIXPQWEY-UHFFFAOYSA-N |
| Mol Weight | 332.36 g/mol |
| Molecular Formula | C21H16O4 |
| Exact Mass | 332.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kfkfdAj99g |
|---|---|
| Name | Phthalic acid, 3-methylphenyl phenyl ester |
| 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/c1-15-8-7-11-17(14-15)25-21(23)19-13-6-5-12-18(19)20(22)24-16-9-3-2-4-10-16/h2-14H,1H3 |
| InChIKey | QVWCCFLIXPQWEY-UHFFFAOYSA-N |
| Molecular Weight | 332.355 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OC1=CC=CC=C1)=O |