| SpectraBase Compound ID | 8ydFdbaC61e |
|---|---|
| InChI | InChI=1S/C20H22O5/c1-4-7-14(2)24-19(21)17-8-5-6-9-18(17)20(22)25-16-12-10-15(23-3)11-13-16/h5-6,8-14H,4,7H2,1-3H3 |
| InChIKey | SGYCYLDREZUMAQ-UHFFFAOYSA-N |
| Mol Weight | 342.39 g/mol |
| Molecular Formula | C20H22O5 |
| Exact Mass | 342.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UdwVpMgxe5 |
|---|---|
| Name | Phthalic acid, 4-methoxyphenyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.146723803 u |
| Formula | C20H22O5 |
| InChI | InChI=1S/C20H22O5/c1-4-7-14(2)24-19(21)17-8-5-6-9-18(17)20(22)25-16-12-10-15(23-3)11-13-16/h5-6,8-14H,4,7H2,1-3H3 |
| InChIKey | SGYCYLDREZUMAQ-UHFFFAOYSA-N |
| Molecular Weight | 342.391 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC(C)CCC)=O)C(OC1=CC=C(C=C1)OC)=O |