| SpectraBase Compound ID | 1zkGBmGUYPI |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-14(2)8-7-13-22-18(20)11-6-12-19(21)23-17-10-5-9-15(3)16(17)4/h5,9-10,14H,6-8,11-13H2,1-4H3 |
| InChIKey | JYIVFXPXENLCNH-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kVssx439Gt |
|---|---|
| Name | Glutaric acid, 2,3-dimethylphenyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-14(2)8-7-13-22-18(20)11-6-12-19(21)23-17-10-5-9-15(3)16(17)4/h5,9-10,14H,6-8,11-13H2,1-4H3 |
| InChIKey | JYIVFXPXENLCNH-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OC1=CC=CC(=C1C)C)=O)=O |