| SpectraBase Compound ID | 4CA96mcbQRs |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-6-14(13(4)5)20-16(18)9-7-8-15(17)19-11-10-12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey | FCTZKYUUWVWHAL-UHFFFAOYSA-N |
| Mol Weight | 286.41 g/mol |
| Molecular Formula | C16H30O4 |
| Exact Mass | 286.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZmVLL8cOga |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.214409442 u |
| Formula | C16H30O4 |
| InChI | InChI=1S/C16H30O4/c1-6-14(13(4)5)20-16(18)9-7-8-15(17)19-11-10-12(2)3/h12-14H,6-11H2,1-5H3 |
| InChIKey | FCTZKYUUWVWHAL-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCCC(C)C)=O |