![Propanoic acid, 3-[2-(1,1-dimethylethyl)-6-oxo-1,3-dioxan-4-yl]](/api/spectrum/9XL2wHfX4hE/structure.png?h=300&w=458 "Propanoic acid, 3-[2-(1,1-dimethylethyl)-6-oxo-1,3-dioxan-4-yl]")
| SpectraBase Compound ID | 8oWGj1cpiZI |
|---|---|
| InChI | InChI=1S/C12H20O5/c1-12(2,3)11-16-8(7-10(14)17-11)5-6-9(13)15-4/h8,11H,5-7H2,1-4H3 |
| InChIKey | SJCSCPHQERDSCW-UHFFFAOYSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C12H20O5 |
| Exact Mass | 244.131074 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9XL2wHfX4hE |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H20O5 |
| InChI | InChI=1S/C12H20O5/c1-12(2,3)11-16-8(7-10(14)17-11)5-6-9(13)15-4/h8,11H,5-7H2,1-4H3 |
| InChIKey | SJCSCPHQERDSCW-UHFFFAOYSA-N |
| Molecular Weight | 244.1305 |
| SMILES | C1(C(C)(C)C)OC(CCC(OC)=O)CC(=O)O1 |
| SPLASH | splash10-0btc-9600000000-10494dd9e78ddb209c52 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |