![(6S,9R)-9-Benzyloxy-1,7-dioxaspiro[5.5]undecan-4-one](/api/spectrum/A8qQVGM0cBV/structure.png?h=300&w=458 "(6S,9R)-9-Benzyloxy-1,7-dioxaspiro[5.5]undecan-4-one")
| SpectraBase Compound ID | 3P2QcFukq7H |
|---|---|
| InChI | InChI=1S/C16H20O4/c17-14-7-9-19-16(10-14)8-6-15(12-20-16)18-11-13-4-2-1-3-5-13/h1-5,15H,6-12H2/t15-,16+/m1/s1 |
| InChIKey | CMZVEQNFNZVQPG-CVEARBPZSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8qQVGM0cBV |
|---|---|
| Name | (6S,9R)-9-Benzyloxy-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 | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c17-14-7-9-19-16(10-14)8-6-15(12-20-16)18-11-13-4-2-1-3-5-13/h1-5,15H,6-12H2/t15-,16+/m1/s1 |
| InChIKey | CMZVEQNFNZVQPG-CVEARBPZSA-N |
| SMILES | [C@]12(OCCC(C2)=O)OC[C@@](CC1)(OCC1=CC=CC=C1)[H] |