| SpectraBase Compound ID | Gy9car4AeCS |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-5-7-9-15(13-14(3)4)21-17(19)11-8-10-16(18)20-12-6-2/h14-15H,5-6,8,10-13H2,1-4H3 |
| InChIKey | CEGGNUIEVYKMQW-UHFFFAOYSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtXFaAjUcci |
|---|---|
| Name | Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-5-7-9-15(13-14(3)4)21-17(19)11-8-10-16(18)20-12-6-2/h14-15H,5-6,8,10-13H2,1-4H3 |
| InChIKey | CEGGNUIEVYKMQW-UHFFFAOYSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | CCC#CC(OC(CCCC(OCCC)=O)=O)CC(C)C |