| SpectraBase Compound ID | EDx6E1DfhlO |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-6-7-13-22-18(20)9-8-10-19(21)23-17-12-11-15(2)16(3)14-17/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | NVGNKCUDSMODLP-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 | 6yDD6F1h2xt |
|---|---|
| Name | Glutaric acid, 3,4-dimethylphenyl hexyl 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/c1-4-5-6-7-13-22-18(20)9-8-10-19(21)23-17-12-11-15(2)16(3)14-17/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | NVGNKCUDSMODLP-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC=C(C(=C1)C)C)=O)=O |