| SpectraBase Compound ID | 3kbsWJ7tAXS |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-6-7-13-22-18(20)9-8-10-19(21)23-17-14-15(2)11-12-16(17)3/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | VCDFJBQJOSYHJX-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 | LF2CtoR3Bl2 |
|---|---|
| Name | Glutaric acid, 2,5-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)23-17-14-15(2)11-12-16(17)3/h11-12,14H,4-10,13H2,1-3H3 |
| InChIKey | VCDFJBQJOSYHJX-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCCOC(CCCC(OC1=CC(=CC=C1C)C)=O)=O |