![2-Tert-butyl-5-methyl[1,3]dioxolane-4-carboxylic acid](/api/spectrum/4pUosBwMxC1/structure.png?h=300&w=458 "2-Tert-butyl-5-methyl[1,3]dioxolane-4-carboxylic acid")
| SpectraBase Compound ID | 1WIUgVUnOLc |
|---|---|
| InChI | InChI=1S/C5H8O4.C4H10/c1-3-4(5(6)7)9-2-8-3;1-4(2)3/h3-4H,2H2,1H3,(H,6,7);4H,1-3H3 |
| InChIKey | XOFWTKSDTQKIOX-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C9H18O4 |
| Exact Mass | 190.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4pUosBwMxC1 |
|---|---|
| Name | 2-Tert-butyl-5-methyl[1,3]dioxolane-4-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.120509056 u |
| Formula | C9H18O4 |
| InChI | InChI=1S/C5H8O4.C4H10/c1-3-4(5(6)7)9-2-8-3;1-4(2)3/h3-4H,2H2,1H3,(H,6,7);4H,1-3H3 |
| InChIKey | XOFWTKSDTQKIOX-UHFFFAOYSA-N |
| Molecular Weight | 190.239 g/mol |
| Nominal Mass | 190 u |
| SMILES | C(C)(C)C.OC(C1C(OCO1)C)=O |