| SpectraBase Compound ID | 9v94tyvXe4T |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-6-7-8-12-19-15(17)10-9-11-16(18)20-14(4)13(2)3/h5-6,13-14H,7-12H2,1-4H3/b6-5+ |
| InChIKey | VTBPRQVYLAFGJW-AATRIKPKSA-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 | D6OVe85bOzL |
|---|---|
| Name | Glutaric acid, hex-4-en-1-yl 3-methylbut-2-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/c1-5-6-7-8-12-19-15(17)10-9-11-16(18)20-14(4)13(2)3/h5-6,13-14H,7-12H2,1-4H3/b6-5+ |
| InChIKey | VTBPRQVYLAFGJW-AATRIKPKSA-N |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OCCC\C=C\C)=O |