| SpectraBase Compound ID | GvIDvaTbRVB |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-9(13)14-10-5-3-2-4-6-11-12(15-11)8-7-10/h3,5,10-12H,2,4,6-8H2,1H3/b5-3-/t10-,11+,12-/m1/s1 |
| InChIKey | VUNAPSPNLAULLS-BGFSKCPMSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IGHHG9VOKVO |
|---|---|
| Name | (1S*,7S*,8R*)-1-Acetoxy-7,8-epoxy-2-cyclodecene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-9(13)14-10-5-3-2-4-6-11-12(15-11)8-7-10/h3,5,10-12H,2,4,6-8H2,1H3/b5-3-/t10-,11+,12-/m1/s1 |
| InChIKey | VUNAPSPNLAULLS-BGFSKCPMSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | [C@@]12(O[C@]1(CCC\C=C/[C@](CC2)(OC(=O)C)[H])[H])[H] |