| SpectraBase Compound ID | 1OkH07lIj4M |
|---|---|
| InChI | InChI=1S/C19H20O5/c1-3-4-13-23-18(20)16-7-5-6-8-17(16)19(21)24-15-11-9-14(22-2)10-12-15/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | DIQDKYGGLXELPZ-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C19H20O5 |
| Exact Mass | 328.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HGRA3zrwLO3 |
|---|---|
| Name | Phthalic acid, butyl 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.131073739 u |
| Formula | C19H20O5 |
| InChI | InChI=1S/C19H20O5/c1-3-4-13-23-18(20)16-7-5-6-8-17(16)19(21)24-15-11-9-14(22-2)10-12-15/h5-12H,3-4,13H2,1-2H3 |
| InChIKey | DIQDKYGGLXELPZ-UHFFFAOYSA-N |
| Molecular Weight | 328.364 g/mol |
| SMILES | CCCCOC(C1=C(C(OC2=CC=C(C=C2)OC)=O)C=CC=C1)=O |