| SpectraBase Compound ID | uxROSx9Gin |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-15(2)9-8-14-23-19(21)12-5-6-13-20(22)24-18-11-7-10-16(3)17(18)4/h7,10-11,15H,5-6,8-9,12-14H2,1-4H3 |
| InChIKey | JCURSIBPEAEXOP-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 | GjWYwB2L9wt |
|---|---|
| Name | Adipic acid, 2,3-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)9-8-14-23-19(21)12-5-6-13-20(22)24-18-11-7-10-16(3)17(18)4/h7,10-11,15H,5-6,8-9,12-14H2,1-4H3 |
| InChIKey | JCURSIBPEAEXOP-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCC(OC1=C(C(C)=CC=C1)C)=O)C(OCCCC(C)C)=O |