| SpectraBase Compound ID | 5YuTcmwQJXi |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-5-7-11-17(15-16(3)4)23-19(21)13-10-9-12-18(20)22-14-8-6-2/h16-17H,5-6,8-10,12-15H2,1-4H3 |
| InChIKey | NOWKYQKGAWAGGF-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ENZHYIWUchW |
|---|---|
| Name | Adipic acid, butyl 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/c1-5-7-11-17(15-16(3)4)23-19(21)13-10-9-12-18(20)22-14-8-6-2/h16-17H,5-6,8-10,12-15H2,1-4H3 |
| InChIKey | NOWKYQKGAWAGGF-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | CCCCOC(CCCCC(=O)OC(C#CCC)CC(C)C)=O |