| SpectraBase Compound ID | CY2DyHWTtXL |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-5-7-8-9-11-16(6-2)22-18(20)13-10-12-17(19)21-14-15(3)4/h15-16H,5-7,10-14H2,1-4H3 |
| InChIKey | IUZKNPXJMWWXAY-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 | 3v03o4GvScR |
|---|---|
| Name | Glutaric acid, isobutyl non-5-yn-3-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/c1-5-7-8-9-11-16(6-2)22-18(20)13-10-12-17(19)21-14-15(3)4/h15-16H,5-7,10-14H2,1-4H3 |
| InChIKey | IUZKNPXJMWWXAY-UHFFFAOYSA-N |
| SMILES | C(C#CCC(OC(CCCC(OCC(C)C)=O)=O)CC)CC |