| SpectraBase Compound ID | 1mSSDTWZLwW |
|---|---|
| InChI | InChI=1S/C20H30O7/c1-2-3-20(21)27-18-6-4-17(5-7-18)19-16-25-13-12-23-9-8-22-10-11-24-14-15-26-19/h4-7,19H,2-3,8-16H2,1H3 |
| InChIKey | LNUTZTRMVKKOKX-UHFFFAOYSA-N |
| Mol Weight | 382.45 g/mol |
| Molecular Formula | C20H30O7 |
| Exact Mass | 382.199153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Li35bxdDGG4 |
|---|---|
| Name | 4'-Butyrylbenzo-15-crown-5 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.199153299 u |
| Formula | C20H30O7 |
| InChI | InChI=1S/C20H30O7/c1-2-3-20(21)27-18-6-4-17(5-7-18)19-16-25-13-12-23-9-8-22-10-11-24-14-15-26-19/h4-7,19H,2-3,8-16H2,1H3 |
| InChIKey | LNUTZTRMVKKOKX-UHFFFAOYSA-N |
| Molecular Weight | 382.453 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C1OCCOCCOCCOCCOC1)(=O)CCC |