| SpectraBase Compound ID | IRMmDa6qUUg |
|---|---|
| InChI | InChI=1S/C21H16O5/c1-24-15-11-13-17(14-12-15)26-21(23)19-10-6-5-9-18(19)20(22)25-16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey | UKZXCLLSZGQCHV-UHFFFAOYSA-N |
| Mol Weight | 348.35 g/mol |
| Molecular Formula | C21H16O5 |
| Exact Mass | 348.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdffV5jw1U9 |
|---|---|
| Name | Phthalic acid, 4-methoxyphenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.099773610 u |
| Formula | C21H16O5 |
| InChI | InChI=1S/C21H16O5/c1-24-15-11-13-17(14-12-15)26-21(23)19-10-6-5-9-18(19)20(22)25-16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey | UKZXCLLSZGQCHV-UHFFFAOYSA-N |
| Molecular Weight | 348.354 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=C(OC)C=C1)=O |