| SpectraBase Compound ID | AiBt20wRzme |
|---|---|
| InChI | InChI=1S/C16H26O5/c1-5-14(3)21-16(18)8-6-7-15(17)20-12-10-13(2)9-11-19-4/h1,13-14H,6-12H2,2-4H3 |
| InChIKey | AZRHCVDZTDIOEG-UHFFFAOYSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C16H26O5 |
| Exact Mass | 298.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8r8wk4Vj3vy |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.178023932 u |
| Formula | C16H26O5 |
| InChI | InChI=1S/C16H26O5/c1-5-14(3)21-16(18)8-6-7-15(17)20-12-10-13(2)9-11-19-4/h1,13-14H,6-12H2,2-4H3 |
| InChIKey | AZRHCVDZTDIOEG-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCCC(C)CCOC)=O |