| SpectraBase Compound ID | KlxrpQlPdaV |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-12(8-10-19-2)9-11-21-16(18)14-7-5-4-6-13(14)15(17)20-3/h4-7,12H,8-11H2,1-3H3 |
| InChIKey | QXCAUCLIEWYCGT-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFFfpzfACVC |
|---|---|
| Name | Phthalic acid, 5-methoxy-3-methylpentyl methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.146723803 u |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-12(8-10-19-2)9-11-21-16(18)14-7-5-4-6-13(14)15(17)20-3/h4-7,12H,8-11H2,1-3H3 |
| InChIKey | QXCAUCLIEWYCGT-UHFFFAOYSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | COCCC(C)CCOC(C1=C(C=CC=C1)C(=O)OC)=O |