| SpectraBase Compound ID | Bb9aBHurLAz |
|---|---|
| InChI | InChI=1S/C22H18O4/c23-21(25-16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-18-11-5-2-6-12-18/h1-14H,15-16H2 |
| InChIKey | GQLKDBBKMJIWMH-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 | 9Qjlk86Hxki |
|---|---|
| Name | Phthalic acid, phenyl 2-phenylethyl 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/c23-21(25-16-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-18-11-5-2-6-12-18/h1-14H,15-16H2 |
| InChIKey | GQLKDBBKMJIWMH-UHFFFAOYSA-N |
| Molecular Weight | 346.382 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC1=CC=CC=C1)=O)C(OCCC1=CC=CC=C1)=O |