| SpectraBase Compound ID | GqN4TCutpGw |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-6-7-10-17(13-15(2)3)23-19(21)12-9-8-11-18(20)22-14-16(4)5/h15-17H,6,8-9,11-14H2,1-5H3 |
| InChIKey | OUGKRSJQAJTIHM-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTj6dqzR2Cl |
|---|---|
| Name | Adipic 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 | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-6-7-10-17(13-15(2)3)23-19(21)12-9-8-11-18(20)22-14-16(4)5/h15-17H,6,8-9,11-14H2,1-5H3 |
| InChIKey | OUGKRSJQAJTIHM-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CC(C)COC(CCCCC(=O)OC(C#CCC)CC(C)C)=O |