| SpectraBase Compound ID | 96FTbRpGe8Z |
|---|---|
| InChI | InChI=1S/C22H18O4/c1-15-12-16(2)14-18(13-15)26-22(24)20-11-7-6-10-19(20)21(23)25-17-8-4-3-5-9-17/h3-14H,1-2H3 |
| InChIKey | HERYAKQSTHJCFE-UHFFFAOYSA-N |
| Mol Weight | 346.38 g/mol |
| Molecular Formula | C22H18O4 |
| Exact Mass | 346.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XKRiGUlB9S |
|---|---|
| Name | Phthalic acid, 3,5-dimethylphenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.120509056 u |
| Formula | C22H18O4 |
| InChI | InChI=1S/C22H18O4/c1-15-12-16(2)14-18(13-15)26-22(24)20-11-7-6-10-19(20)21(23)25-17-8-4-3-5-9-17/h3-14H,1-2H3 |
| InChIKey | HERYAKQSTHJCFE-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O)C(OC1=CC=CC=C1)=O |