![(6R,8S)-8-((Benzyloxy)methyl)-1,7-dioxaspiro[5.5]undecan-4-one](/api/spectrum/53ZFOtjKgrd/structure.png?h=300&w=458 "(6R,8S)-8-((Benzyloxy)methyl)-1,7-dioxaspiro[5.5]undecan-4-one")
| SpectraBase Compound ID | BQ7ed3zUaQp |
|---|---|
| InChI | InChI=1S/C17H22O4/c18-15-8-10-20-17(11-15)9-4-7-16(21-17)13-19-12-14-5-2-1-3-6-14/h1-3,5-6,16H,4,7-13H2/t16-,17+/m0/s1 |
| InChIKey | FFGWFCQCSNLJLS-DLBZAZTESA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53ZFOtjKgrd |
|---|---|
| Name | (6R,8S)-8-((Benzyloxy)methyl)-1,7-dioxaspiro[5.5]undecan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c18-15-8-10-20-17(11-15)9-4-7-16(21-17)13-19-12-14-5-2-1-3-6-14/h1-3,5-6,16H,4,7-13H2/t16-,17+/m0/s1 |
| InChIKey | FFGWFCQCSNLJLS-DLBZAZTESA-N |
| SMILES | [C@@]12(OCCC(=O)C2)O[C@](COCC2=CC=CC=C2)(CCC1)[H] |