| SpectraBase Compound ID | 1gcE2g0deH0 |
|---|---|
| InChI | InChI=1S/C15H22O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11,16H,3-10,12H2 |
| InChIKey | QPHPUEGVOJTTHN-UHFFFAOYSA-N |
| Mol Weight | 298.33 g/mol |
| Molecular Formula | C15H22O6 |
| Exact Mass | 298.141638 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LibPCApDtrm |
|---|---|
| Name | 4-Hydroxymethylbenzo-15-crown-5 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.141638422 u |
| Formula | C15H22O6 |
| InChI | InChI=1S/C15H22O6/c16-12-13-1-2-14-15(11-13)21-10-8-19-6-4-17-3-5-18-7-9-20-14/h1-2,11,16H,3-10,12H2 |
| InChIKey | QPHPUEGVOJTTHN-UHFFFAOYSA-N |
| Molecular Weight | 298.335 g/mol |
| SMILES | C12=C(OCCOCCOCCOCCO2)C=CC(=C1)CO |