| SpectraBase Compound ID | GxSgBIX7h2I |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h1,11-12H,6-10H2,2-4H3 |
| InChIKey | UALDRQFXDCPENW-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQFgueu2bUH |
|---|---|
| Name | Glutaric acid, but-3-yl-2-yn 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-5-12(4)18-14(16)8-6-7-13(15)17-10-9-11(2)3/h1,11-12H,6-10H2,2-4H3 |
| InChIKey | UALDRQFXDCPENW-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OCCC(C)C)=O |