| SpectraBase Compound ID | 4Dnbv25j34a |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-21(24)17-16-18-22(25)27-20-23(2,3)4/h5-13,16-20H2,1-4H3 |
| InChIKey | IISRPCKJPSFHEC-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 155Q9gFEanL |
|---|---|
| Name | Glutaric acid, tridec-2-yn-1-yl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-19-26-21(24)17-16-18-22(25)27-20-23(2,3)4/h5-13,16-20H2,1-4H3 |
| InChIKey | IISRPCKJPSFHEC-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(CCC(OCC#CCCCCCCCCCC)=O)C(OCC(C)(C)C)=O |