| SpectraBase Compound ID | F34VAfoh08H |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-14(12(2)3)20-16(18)11-7-10-15(17)19-13-8-5-6-9-13/h12-14H,4-11H2,1-3H3 |
| InChIKey | PXNJXOUWWXBOTB-UHFFFAOYSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iWCWB5NkCL |
|---|---|
| Name | Glutaric acid, cyclopentyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-4-14(12(2)3)20-16(18)11-7-10-15(17)19-13-8-5-6-9-13/h12-14H,4-11H2,1-3H3 |
| InChIKey | PXNJXOUWWXBOTB-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1CCCC1)=O |