| SpectraBase Compound ID | 1m5pZXzTK4G |
|---|---|
| InChI | InChI=1S/C20H30O5/c1-4-5-8-13-24-19(21)17-9-6-7-10-18(17)20(22)25-15-12-16(2)11-14-23-3/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3 |
| InChIKey | SUSXBGHBVCZCKA-UHFFFAOYSA-N |
| Mol Weight | 350.46 g/mol |
| Molecular Formula | C20H30O5 |
| Exact Mass | 350.209324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DpjLVlgttOr |
|---|---|
| Name | Phthalic acid, 5-methoxy-3-methylpentyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.209324061 u |
| Formula | C20H30O5 |
| InChI | InChI=1S/C20H30O5/c1-4-5-8-13-24-19(21)17-9-6-7-10-18(17)20(22)25-15-12-16(2)11-14-23-3/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3 |
| InChIKey | SUSXBGHBVCZCKA-UHFFFAOYSA-N |
| Molecular Weight | 350.455 g/mol |
| SMILES | C(COC(C1=C(C=CC=C1)C(=O)OCCCCC)=O)C(CCOC)C |