| SpectraBase Compound ID | 8gEraUTP7w1 |
|---|---|
| InChI | InChI=1S/C12H18O4/c1-5-10(4)16-12(14)8-6-7-11(13)15-9(2)3/h1,9-10H,6-8H2,2-4H3 |
| InChIKey | GIMMHMKISOBPSW-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 | 81ryz1dTnsj |
|---|---|
| Name | Glutaric acid, but-3-yn-2-yl isopropyl 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/c1-5-10(4)16-12(14)8-6-7-11(13)15-9(2)3/h1,9-10H,6-8H2,2-4H3 |
| InChIKey | GIMMHMKISOBPSW-UHFFFAOYSA-N |
| Molecular Weight | 226.272 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC(C)C)=O |