| SpectraBase Compound ID | A1fzjpZC1Tc |
|---|---|
| InChI | InChI=1S/C5H8O2.C5H10.CH2O2/c1-2-3-4-5(6)7;1-5(2)3-4-5;2-1-3/h2H,1,3-4H2,(H,6,7);3-4H2,1-2H3;1H,(H,2,3) |
| InChIKey | KFTOQNUFEYREEJ-UHFFFAOYSA-N |
| Mol Weight | 216.277 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | XHaskqMklC |
|---|---|
| Name | Cyclopropanepropanoic acid, 3-carboxy-beta-ethenyl-2,2-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C5H8O2.C5H10.CH2O2/c1-2-3-4-5(6)7;1-5(2)3-4-5;2-1-3/h2H,1,3-4H2,(H,6,7);3-4H2,1-2H3;1H,(H,2,3) |
| InChIKey | KFTOQNUFEYREEJ-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| Nominal Mass | 216 u |
| SMILES | OC(CCC=C)=O.CC1(C)CC1.OC=O |