| SpectraBase Compound ID | NFtoV8AcaU |
|---|---|
| InChI | InChI=1S/C17H24O5/c1-5-21-16(18)14-8-6-7-9-15(14)17(19)22-13(3)12(2)10-11-20-4/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey | BCALDBWIBXFKKY-UHFFFAOYSA-N |
| Mol Weight | 308.37 g/mol |
| Molecular Formula | C17H24O5 |
| Exact Mass | 308.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L15VwGqRZkY |
|---|---|
| Name | Phthalic acid, 5-methoxy-3-methylpent-2-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.162373868 u |
| Formula | C17H24O5 |
| InChI | InChI=1S/C17H24O5/c1-5-21-16(18)14-8-6-7-9-15(14)17(19)22-13(3)12(2)10-11-20-4/h6-9,12-13H,5,10-11H2,1-4H3 |
| InChIKey | BCALDBWIBXFKKY-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OC(C(C)CCOC)C)=O)C(OCC)=O |