| SpectraBase Compound ID | B3oCZYIwvs4 |
|---|---|
| InChI | InChI=1S/C23H20O4/c1-16(2)18-12-8-9-15-21(18)27-23(25)20-14-7-6-13-19(20)22(24)26-17-10-4-3-5-11-17/h3-16H,1-2H3 |
| InChIKey | IZKBPXPQKCOAOJ-UHFFFAOYSA-N |
| Mol Weight | 360.41 g/mol |
| Molecular Formula | C23H20O4 |
| Exact Mass | 360.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1ersvQvnQr |
|---|---|
| Name | Phthalic acid, 2-isopropylphenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.136159120 u |
| Formula | C23H20O4 |
| InChI | InChI=1S/C23H20O4/c1-16(2)18-12-8-9-15-21(18)27-23(25)20-14-7-6-13-19(20)22(24)26-17-10-4-3-5-11-17/h3-16H,1-2H3 |
| InChIKey | IZKBPXPQKCOAOJ-UHFFFAOYSA-N |
| Molecular Weight | 360.409 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=CC=C1C(C)C)=O |