| SpectraBase Compound ID | JQvlkiErCXe |
|---|---|
| InChI | InChI=1S/C12H24O7/c13-7-11(14)8-18-10-12-9-17-4-3-15-1-2-16-5-6-19-12/h11-14H,1-10H2 |
| InChIKey | XZJXKHFIFSUVQA-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C12H24O7 |
| Exact Mass | 280.152203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CC774n41Trc |
|---|---|
| Name | (2,3-Dihydroxypropyloxy)methyl-12-crown-4 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.152203106 u |
| Formula | C12H24O7 |
| InChI | InChI=1S/C12H24O7/c13-7-11(14)8-18-10-12-9-17-4-3-15-1-2-16-5-6-19-12/h11-14H,1-10H2 |
| InChIKey | XZJXKHFIFSUVQA-UHFFFAOYSA-N |
| SMILES | C1(OCCOCCOCCOC1)COCC(O)CO |