| SpectraBase Compound ID | IuNsAR69q6i |
|---|---|
| InChI | InChI=1S/C13H22O2/c14-11-12-9-7-5-3-1-2-4-6-8-10-13(12)15/h11,14H,1-10H2/b12-11+ |
| InChIKey | USIZNIIJMKKBLR-VAWYXSNFSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdmQfPcriL1 |
|---|---|
| Name | .alpha.-(Hydroxymethylene)cyclododecanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c14-11-12-9-7-5-3-1-2-4-6-8-10-13(12)15/h11,14H,1-10H2/b12-11+ |
| InChIKey | USIZNIIJMKKBLR-VAWYXSNFSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C1(\C(CCCCCCCCCC1)=C\O)=O |