SpectraBase Spectrum ID |
FMLW8ASOpJ8 |
Name |
(1R,2S)-exo-3,6-Epoxy-2-(2-isopropoxycarbonyl)cyclohexane-1-carboxylic acid |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
228.099773610 u |
Formula |
C11H16O5 |
InChI |
InChI=1S/C11H16O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h5-9H,3-4H2,1-2H3,(H,12,13)/t6?,7?,8-,9+/m0/s1 |
InChIKey |
QWQBZOTXZNXLIH-ABIFROTESA-N |
Molecular Weight |
228.244 g/mol |
SMILES |
[C@]1([C@](C2OC1CC2)(C(=O)O)[H])(C(OC(C)C)=O)[H] |