| SpectraBase Compound ID | 2LgqknusHex |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h5-6,9-10,12-13H,7-8,11H2,1-4H3 |
| InChIKey | KEPOKPNQVMKITO-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 | BgKV6XmU8j0 |
|---|---|
| Name | Phthalic acid, isohexyl isoporpyl 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/c1-12(2)8-7-11-20-16(18)14-9-5-6-10-15(14)17(19)21-13(3)4/h5-6,9-10,12-13H,7-8,11H2,1-4H3 |
| InChIKey | KEPOKPNQVMKITO-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1C(OC(C)C)=O)C(=O)OCCCC(C)C |