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(4R,5S)-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
SpectraBase Compound ID FlmIVH1w4UW
InChI InChI=1S/C8H12O4/c1-8(11)4-5(9)3-6(12-2)7(8)10/h3,7,10-11H,4H2,1-2H3/t7-,8-/m0/s1
InChIKey WJKXLOGUCSSDAB-YUMQZZPRSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EV2HJ7gfUDe
Name (4R,5S)-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-8(11)4-5(9)3-6(12-2)7(8)10/h3,7,10-11H,4H2,1-2H3/t7-,8-/m0/s1
InChIKey WJKXLOGUCSSDAB-YUMQZZPRSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 172.181 g/mol
Source File Reference MHKO25420