| SpectraBase Compound ID | JF4Hw2T96zF |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-15(2)14-17(4)23-19(21)12-6-5-7-13-20(22)24-18-11-9-8-10-16(18)3/h8-11,15,17H,5-7,12-14H2,1-4H3 |
| InChIKey | URGYYFZCTPGLCK-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 | BJmOwPClBgH |
|---|---|
| Name | Pimelic acid, 4-methyl-2-pentyl 2-methylphenyl 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/c1-15(2)14-17(4)23-19(21)12-6-5-7-13-20(22)24-18-11-9-8-10-16(18)3/h8-11,15,17H,5-7,12-14H2,1-4H3 |
| InChIKey | URGYYFZCTPGLCK-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(OC1=C(C=CC=C1)C)(=O)CCCCCC(OC(CC(C)C)C)=O |