| SpectraBase Compound ID | BoJ4KlIjXHc |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-4-9-15-11(13)7-6-8-12(14)16-10(3)5-2/h2,10H,4,6-9H2,1,3H3 |
| InChIKey | DAWILSNFMOZBRU-UHFFFAOYSA-N |
| Mol Weight | 226.27 g/mol |
| Molecular Formula | C12H18O4 |
| Exact Mass | 226.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Vb05i6uZ1Q |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.120509056 u |
| Formula | C12H18O4 |
| InChI | InChI=1S/C12H18O4/c1-4-9-15-11(13)7-6-8-12(14)16-10(3)5-2/h2,10H,4,6-9H2,1,3H3 |
| InChIKey | DAWILSNFMOZBRU-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C#CC(OC(CCCC(OCCC)=O)=O)C |