For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R,2S)-exo-3,6-Epoxy-2-(2-isopropoxycarbonyl)cyclohexane-1-carboxylic acid
SpectraBase Compound ID 2FTEyyV54li
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
Mol Weight 228.24 g/mol
Molecular Formula C11H16O5
Exact Mass 228.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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]