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3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID, METHYL ESTER

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3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID 5WYyQ40Krov
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
InChIKey LSNUUAUXWJZSFD-UHFFFAOYSA-N
Mol Weight 188.18 g/mol
Molecular Formula C8H12O5
Exact Mass 188.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1XnTFERbfk
Name 3,4,5-TRIHYDROXY-1-CYCLOHEXENE-1-CARBOXYLIC ACID, METHYL ESTER
Source of Sample D. A. Mcgowan, G. A. Berchtold J. Amer. Chem. Soc. 104, 7036(1982)
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O5
InChI InChI=1S/C8H12O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2,5-7,9-11H,3H2,1H3
InChIKey LSNUUAUXWJZSFD-UHFFFAOYSA-N
Molecular Weight 188.18
Solvent Dimethyl sulfoxide-d6; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-250
Synonyms EPISHIKIMIC ACID, METHYL ESTER 1-CYCLOHEXENE-1-CARBOXYLIC ACID, 3,4,5-TRIHYDROXY-, METHYL ESTER