| SpectraBase Compound ID | LowIdBXVuFn |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-15(2)9-8-14-23-19(21)12-7-13-20(22)24-18-11-6-5-10-17(18)16(3)4/h5-6,10-11,15-16H,7-9,12-14H2,1-4H3 |
| InChIKey | HVKAFUAVGPDWGK-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJX2uF15rx0 |
|---|---|
| Name | Glutaric acid, isohexyl 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-15(2)9-8-14-23-19(21)12-7-13-20(22)24-18-11-6-5-10-17(18)16(3)4/h5-6,10-11,15-16H,7-9,12-14H2,1-4H3 |
| InChIKey | HVKAFUAVGPDWGK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC=C1C(C)C)=O)=O |