| SpectraBase Compound ID | Ibvq0WOPjNZ |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-5-9-14-23-19(21)10-7-6-8-11-20(22)24-18-15-16(2)12-13-17(18)3/h12-13,15H,4-11,14H2,1-3H3 |
| InChIKey | KDEIGZBHRKLKRQ-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 | GxDdDPgxQ2i |
|---|---|
| Name | Pimelic acid, 2,5-dimethylphenyl pentyl 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/c1-4-5-9-14-23-19(21)10-7-6-8-11-20(22)24-18-15-16(2)12-13-17(18)3/h12-13,15H,4-11,14H2,1-3H3 |
| InChIKey | KDEIGZBHRKLKRQ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCCC(OCCCCC)=O)CC(OC=1C(C)=CC=C(C)C1)=O |