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(3S,4S,5R)-3,4,5-TRIHYDROXY-1-CYClOHEXENE-CARBOXYLIC-ACID-METHYLESTER
SpectraBase Compound ID 2uPpQUaNJ1z
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/t5-,6+,7+/m1/s1
InChIKey LSNUUAUXWJZSFD-VQVTYTSYSA-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 ByGDPgcyOQ6
Name (3S,4S,5R)-3,4,5-TRIHYDROXY-1-CYClOHEXENE-CARBOXYLIC-ACID-METHYLESTER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/t5-,6+,7+/m1/s1
InChIKey LSNUUAUXWJZSFD-VQVTYTSYSA-N
Literature Reference Author H.GEIGER,S.EL-DESSOUKI,T.SEEGER
Literature Reference Citation PHYTOCHEM.,40,1705(1995)
Literature Reference DOI 10.1016/0031-9422(95)00450-L
Molecular Weight 188.180 g/mol
Solvent CD3OD
Source File Reference UWLU4530