| SpectraBase Compound ID | 1F6kZIvPBVE |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-14(2)13-24-19(21)17-8-6-5-7-16(17)18(20)23-12-10-15(3)9-11-22-4/h5-8,14-15H,9-13H2,1-4H3 |
| InChIKey | ZMSTXPGKPFDITF-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hy4elkYYmk0 |
|---|---|
| Name | Phthalic acid, isobutyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-14(2)13-24-19(21)17-8-6-5-7-16(17)18(20)23-12-10-15(3)9-11-22-4/h5-8,14-15H,9-13H2,1-4H3 |
| InChIKey | ZMSTXPGKPFDITF-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(=O)OCC(C)C)(OCCC(CCOC)C)=O |