| SpectraBase Compound ID | 6YerOvociE3 |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-15(2)8-7-13-23-19(21)9-5-6-10-20(22)24-18-12-11-16(3)17(4)14-18/h11-12,14-15H,5-10,13H2,1-4H3 |
| InChIKey | FNTITOFYTXFWPK-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 | JXXhmpopMtC |
|---|---|
| Name | Adipic acid, 3,4-dimethylphenyl isohexyl 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)8-7-13-23-19(21)9-5-6-10-20(22)24-18-12-11-16(3)17(4)14-18/h11-12,14-15H,5-10,13H2,1-4H3 |
| InChIKey | FNTITOFYTXFWPK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OC(CCCCC(=O)OC1=CC(=C(C=C1)C)C)=O)CCC(C)C |