| SpectraBase Compound ID | 1xnflgPMUL5 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-9-16-10-6-7-11-17(16)23-19(21)13-8-12-18(20)22-15(4)14(2)3/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3 |
| InChIKey | DUFZBQRDYSOLAM-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 | AIGDd5KarsV |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2-propylphenyl 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/c1-5-9-16-10-6-7-11-17(16)23-19(21)13-8-12-18(20)22-15(4)14(2)3/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3 |
| InChIKey | DUFZBQRDYSOLAM-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC=1C(CCC)=CC=CC1)=O |