| SpectraBase Compound ID | 2rB6FDLq7Vb |
|---|---|
| InChI | InChI=1S/C18H18O4/c1-21-17(19)15-11-5-6-12-16(15)18(20)22-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3 |
| InChIKey | LIUNKDANLPYMGN-UHFFFAOYSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgOb18PItZT |
|---|---|
| Name | Phthalic acid, methyl 3-phenylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.120509056 u |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/c1-21-17(19)15-11-5-6-12-16(15)18(20)22-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-12H,7,10,13H2,1H3 |
| InChIKey | LIUNKDANLPYMGN-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(=O)OC)C(OCCCC1=CC=CC=C1)=O |