| SpectraBase Compound ID | 1NwUJaMi0z |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)16-15-17-22(24)26-19-20(2)3/h20H,4-12,15-19H2,1-3H3 |
| InChIKey | YZSLHWTYHZDBIH-UHFFFAOYSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ABIgjC14pIO |
|---|---|
| Name | Glutaric acid, isobutyl tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-25-21(23)16-15-17-22(24)26-19-20(2)3/h20H,4-12,15-19H2,1-3H3 |
| InChIKey | YZSLHWTYHZDBIH-UHFFFAOYSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | CC(C)COC(CCCC(OCC#CCCCCCCCCCC)=O)=O |