| SpectraBase Compound ID | HlIqiERnL6l |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-6-17(5)23-19(21)12-8-11-18(20)22-14-13-16(4)10-7-9-15(2)3/h1,15-17H,7-14H2,2-5H3 |
| InChIKey | HGRGOSXRMFYELP-UHFFFAOYSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8uXCTBEk2qA |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-6-17(5)23-19(21)12-8-11-18(20)22-14-13-16(4)10-7-9-15(2)3/h1,15-17H,7-14H2,2-5H3 |
| InChIKey | HGRGOSXRMFYELP-UHFFFAOYSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCCC(CCCC(C)C)C)=O |