![(4-Allyl-2-tert-butyl-5-oxo-[1,3]dioxolan-4-yl)acetic acid](/api/spectrum/ceviENNDph/structure.png?h=300&w=458 "(4-Allyl-2-tert-butyl-5-oxo-[1,3]dioxolan-4-yl)acetic acid")
| SpectraBase Compound ID | 4zjnl3gU2cL |
|---|---|
| InChI | InChI=1S/C6H8O3.C4H10.C2H4O2/c1-2-3-5-6(7)9-4-8-5;1-4(2)3;1-2(3)4/h2,5H,1,3-4H2;4H,1-3H3;1H3,(H,3,4) |
| InChIKey | RBSRLWHLMWLWDP-UHFFFAOYSA-N |
| Mol Weight | 246.3 g/mol |
| Molecular Formula | C12H22O5 |
| Exact Mass | 246.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ceviENNDph |
|---|---|
| Name | (4-Allyl-2-tert-butyl-5-oxo-[1,3]dioxolan-4-yl)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.146723803 u |
| Formula | C12H22O5 |
| InChI | InChI=1S/C6H8O3.C4H10.C2H4O2/c1-2-3-5-6(7)9-4-8-5;1-4(2)3;1-2(3)4/h2,5H,1,3-4H2;4H,1-3H3;1H3,(H,3,4) |
| InChIKey | RBSRLWHLMWLWDP-UHFFFAOYSA-N |
| Molecular Weight | 246.303 g/mol |
| Nominal Mass | 246 u |
| SMILES | OC(C)=O.C1(OCOC1=O)CC=C.C(C)(C)C |