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(1R,2S)-exo-3,6-Epoxy-2-(2-isopropoxycarbonyl)cyclohex-4-ene-1-carboxylic acid
SpectraBase Compound ID I9AdhqMXF4O
InChI InChI=1S/C11H14O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h3-9H,1-2H3,(H,12,13)/t6?,7?,8-,9+/m1/s1
InChIKey YKOGKWGGMISKRS-YNTFGVKOSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nUB4iuE9b5
Name (1R,2S)-exo-3,6-Epoxy-2-(2-isopropoxycarbonyl)cyclohex-4-ene-1-carboxylic acid
Alternate Name(s) (2S,3R)-3-(isopropoxycarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-5(2)15-11(14)9-7-4-3-6(16-7)8(9)10(12)13/h3-9H,1-2H3,(H,12,13)/t6?,7?,8-,9+/m1/s1
InChIKey YKOGKWGGMISKRS-YNTFGVKOSA-N
Molecular Weight 226.228 g/mol
SMILES OC([C@]1([C@@](C(OC(C)C)=O)(C2OC1C=C2)[H])[H])=O
SPLASH splash10-014j-6900000000-87fe7e30b07d546b666b
Source of Spectrum J-63-1195-18
Wiley ID 1227074