| SpectraBase Compound ID | FpzrH7Z7ThA |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-6-7-9-16(12-14(2)3)22-18(20)11-8-10-17(19)21-13-15(4)5/h14-16H,6,8,10-13H2,1-5H3 |
| InChIKey | ZFZJTOQAFMZTTM-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzIrELuYu4S |
|---|---|
| Name | Glutaric acid, isobutyl 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-6-7-9-16(12-14(2)3)22-18(20)11-8-10-17(19)21-13-15(4)5/h14-16H,6,8,10-13H2,1-5H3 |
| InChIKey | ZFZJTOQAFMZTTM-UHFFFAOYSA-N |
| SMILES | CC(CC(OC(CCCC(OCC(C)C)=O)=O)C#CCC)C |