| SpectraBase Compound ID | 37HXt6uo7iG |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-4-7-10-13-22-19-16-20(23-14-11-8-5-2)18-21(17-19)24-15-12-9-6-3/h16-18H,4-15H2,1-3H3 |
| InChIKey | NRCLHLCYQHCMGH-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5MlFKoIRm3L |
|---|---|
| Name | Phloroglucinol tripentyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.266445016 u |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-4-7-10-13-22-19-16-20(23-14-11-8-5-2)18-21(17-19)24-15-12-9-6-3/h16-18H,4-15H2,1-3H3 |
| InChIKey | NRCLHLCYQHCMGH-UHFFFAOYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | C=1C(=CC(=CC1OCCCCC)OCCCCC)OCCCCC |