| SpectraBase Compound ID | G4BSA2JkMge |
|---|---|
| InChI | InChI=1S/C24H44O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23(26-21-8-5-2)24(25)27-22-9-6-3/h23H,4-17,20-22H2,1-3H3 |
| InChIKey | GDXUTOWZZDJMNW-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C24H44O3 |
| Exact Mass | 380.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Xp6BQyJfld |
|---|---|
| Name | 4-Hexadecynoic acid, 2-butoxy-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.329045274 u |
| Formula | C24H44O3 |
| InChI | InChI=1S/C24H44O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23(26-21-8-5-2)24(25)27-22-9-6-3/h23H,4-17,20-22H2,1-3H3 |
| InChIKey | GDXUTOWZZDJMNW-UHFFFAOYSA-N |
| Molecular Weight | 380.613 g/mol |
| SMILES | C(C(CC#CCCCCCCCCCCC)OCCCC)(OCCCC)=O |