| SpectraBase Compound ID | FxU1U64ZrAU |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-14(2)13-22-18(20)8-6-5-7-9-19(21)23-17-12-15(3)10-11-16(17)4/h10-12,14H,5-9,13H2,1-4H3 |
| InChIKey | WSYYABNCMWNZQI-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 | eLvaeEBZ89 |
|---|---|
| Name | Pimelic acid, 2,5-dimethylphenyl isobutyl 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/c1-14(2)13-22-18(20)8-6-5-7-9-19(21)23-17-12-15(3)10-11-16(17)4/h10-12,14H,5-9,13H2,1-4H3 |
| InChIKey | WSYYABNCMWNZQI-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCCC(OCC(C)C)=O)CC(OC=1C(C)=CC=C(C)C1)=O |