| SpectraBase Compound ID | 3MbRXvcU7qG |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-3-5-7-13-9(11)8(10)12-6-4-2/h4H,2-3,5-7H2,1H3 |
| InChIKey | VWYPGCLJFGCEPY-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40QbxlNIlfy |
|---|---|
| Name | Oxalic acid, allyl butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.089208927 u |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-3-5-7-13-9(11)8(10)12-6-4-2/h4H,2-3,5-7H2,1H3 |
| InChIKey | VWYPGCLJFGCEPY-UHFFFAOYSA-N |
| Molecular Weight | 186.207 g/mol |
| SMILES | C(OC(C(=O)OCCCC)=O)C=C |