| SpectraBase Compound ID | IDZPlw1RukV |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-9-13(6-3)21-17(19)15-11-8-7-10-14(15)16(18)20-12-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey | KLKFDTKTJGXMTE-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | NzADfimspO |
|---|---|
| Name | Phthalic acid, hex-3-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-4-9-13(6-3)21-17(19)15-11-8-7-10-14(15)16(18)20-12-5-2/h7-8,10-11,13H,4-6,9,12H2,1-3H3 |
| InChIKey | KLKFDTKTJGXMTE-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1C(OC(CC)CCC)=O)C(OCCC)=O |