| SpectraBase Compound ID | 7JbaEVt5GGj |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-5-7-10-16(14-15(3)4)22-18(20)12-9-8-11-17(19)21-13-6-2/h15-16H,5-6,8-9,11-14H2,1-4H3 |
| InChIKey | UDCDCZWLFNNRBA-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 | KlEFzCTRD0V |
|---|---|
| Name | Adipic acid, 2-methyloct-5-yn-4-yl propyl 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/c1-5-7-10-16(14-15(3)4)22-18(20)12-9-8-11-17(19)21-13-6-2/h15-16H,5-6,8-9,11-14H2,1-4H3 |
| InChIKey | UDCDCZWLFNNRBA-UHFFFAOYSA-N |
| SMILES | CCCOC(CCCCC(=O)OC(C#CCC)CC(C)C)=O |