| SpectraBase Compound ID | 3P6i9w2TFj5 |
|---|---|
| InChI | InChI=1S/C16H30O4/c1-13(2)8-7-11-19-14(17)9-6-10-15(18)20-12-16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | DPZIMINTVOHKMA-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 | 4rUpQPMNjOp |
|---|---|
| Name | Glutaric acid, isohexyl neopentyl 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/c1-13(2)8-7-11-19-14(17)9-6-10-15(18)20-12-16(3,4)5/h13H,6-12H2,1-5H3 |
| InChIKey | DPZIMINTVOHKMA-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(CCCC(OCC(C)(C)C)=O)=O |