| SpectraBase Compound ID | C7x0pqzIBvE |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-20-27-23(25)18-16-19-24(26)28-21-22(3)17-5-2/h22H,4-13,16-21H2,1-3H3 |
| InChIKey | ZMMVJQNGFSYSOV-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1v5rNCf0xF6 |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl 2-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-20-27-23(25)18-16-19-24(26)28-21-22(3)17-5-2/h22H,4-13,16-21H2,1-3H3 |
| InChIKey | ZMMVJQNGFSYSOV-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(CCC)C)=O |