| SpectraBase Compound ID | 3QONHYX4KSi |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-4-11-20-16(18)14-9-5-6-10-15(14)17(19)21-12-7-8-13(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3 |
| InChIKey | RZDRJNFSEUDUIV-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 | 4MXgBsPSO9N |
|---|---|
| Name | Phthalic acid, isohexyl 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/c1-4-11-20-16(18)14-9-5-6-10-15(14)17(19)21-12-7-8-13(2)3/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3 |
| InChIKey | RZDRJNFSEUDUIV-UHFFFAOYSA-N |
| SMILES | C1=C(C(C(OCCC)=O)=CC=C1)C(OCCCC(C)C)=O |