| SpectraBase Compound ID | vTQNGhHwpS |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-3-9-15-11(13)8-6-5-7-10(12)14-4-2/h1H,4-9H2,2H3 |
| InChIKey | NCHNHCPYHOPEJM-UHFFFAOYSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BgCr9nelePB |
|---|---|
| Name | Adipic acid, ethyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-3-9-15-11(13)8-6-5-7-10(12)14-4-2/h1H,4-9H2,2H3 |
| InChIKey | NCHNHCPYHOPEJM-UHFFFAOYSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C(CC(=O)OCC#C)CCC(OCC)=O |