| SpectraBase Compound ID | 1mI6qaNx8qx |
|---|---|
| InChI | InChI=1S/C21H24O5/c1-3-4-9-14-25-20(22)17-11-6-7-12-18(17)21(23)26-15-16-10-5-8-13-19(16)24-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3 |
| InChIKey | DIZBFCQVKZIOMX-UHFFFAOYSA-N |
| Mol Weight | 356.42 g/mol |
| Molecular Formula | C21H24O5 |
| Exact Mass | 356.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX9KY3ooum1 |
|---|---|
| Name | Phthalic acid, 2-methoxybenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.162373868 u |
| Formula | C21H24O5 |
| InChI | InChI=1S/C21H24O5/c1-3-4-9-14-25-20(22)17-11-6-7-12-18(17)21(23)26-15-16-10-5-8-13-19(16)24-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3 |
| InChIKey | DIZBFCQVKZIOMX-UHFFFAOYSA-N |
| Molecular Weight | 356.418 g/mol |
| SMILES | C(C1=CC=CC=C1C(=O)OCC=1C(OC)=CC=CC1)(OCCCCC)=O |