| SpectraBase Compound ID | AZon21oyLLI |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h1,10H,5-9H2,2-3H3 |
| InChIKey | MXRNTIWLOJHNET-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 | 1OCR7mgAcMI |
|---|---|
| Name | 2-Pent-4-ynylmalonic acid diethyl 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/c1-4-7-8-9-10(11(13)15-5-2)12(14)16-6-3/h1,10H,5-9H2,2-3H3 |
| InChIKey | MXRNTIWLOJHNET-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)CCCC#C |