| SpectraBase Compound ID | 2pXHChTpDzJ |
|---|---|
| InChI | InChI=1S/C12H20O6/c1-4-6-10(13)17-8-9(12(15)16-3)18-11(14)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | MZBSLFFRGPVXRO-UHFFFAOYSA-N |
| Mol Weight | 260.29 g/mol |
| Molecular Formula | C12H20O6 |
| Exact Mass | 260.125988 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CS1G6y20kqt |
|---|---|
| Name | 3-Methoxy-3-oxopropane-1,2-diyl dibutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.125988358 u |
| Formula | C12H20O6 |
| InChI | InChI=1S/C12H20O6/c1-4-6-10(13)17-8-9(12(15)16-3)18-11(14)7-5-2/h9H,4-8H2,1-3H3 |
| InChIKey | MZBSLFFRGPVXRO-UHFFFAOYSA-N |
| Molecular Weight | 260.286 g/mol |
| SMILES | C(C(OCC(OC(CCC)=O)C(OC)=O)=O)CC |