| SpectraBase Compound ID | DPUat0g29Hw |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-5-7-8-9-10-11-12-13-14-15-16-20-27-23(25)18-17-19-24(26)28-22(6-2)21(3)4/h21-22H,5-14,17-20H2,1-4H3 |
| InChIKey | MPHNPLWAFHRWJF-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 | K4Hb8XXkEnw |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl 2-methylpent-3-yl 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/c1-5-7-8-9-10-11-12-13-14-15-16-20-27-23(25)18-17-19-24(26)28-22(6-2)21(3)4/h21-22H,5-14,17-20H2,1-4H3 |
| InChIKey | MPHNPLWAFHRWJF-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OC(C(C)C)CC)=O |