| SpectraBase Compound ID | L7NpxUzCgKH |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-5-6-7-8-15-23-19(21)13-10-14-20(22)24-18-12-9-11-16(2)17(18)3/h9,11-12H,4-8,10,13-15H2,1-3H3 |
| InChIKey | QXSVSWFDZFDGOV-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 | 1LlN4nHiaLi |
|---|---|
| Name | Glutaric acid, 2,3-dimethylphenyl heptyl 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/c1-4-5-6-7-8-15-23-19(21)13-10-14-20(22)24-18-12-9-11-16(2)17(18)3/h9,11-12H,4-8,10,13-15H2,1-3H3 |
| InChIKey | QXSVSWFDZFDGOV-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | CCCCCCCOC(CCCC(OC1=CC=CC(=C1C)C)=O)=O |