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CIS-2,4-DIHYDROXY-2-(2-HYDROXYETHYL)-CYCLOHEX-5-EN-1-ONE
SpectraBase Compound ID AQuVUVm7NVp
InChI InChI=1S/C8H12O4/c9-4-3-8(12)5-6(10)1-2-7(8)11/h1-2,6,9-10,12H,3-5H2/t6-,8-/m0/s1
InChIKey ZNHAIJGMZCDGLQ-XPUUQOCRSA-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 C8PKoSqu06a
Name CIS-2,4-DIHYDROXY-2-(2-HYDROXYETHYL)-CYCLOHEX-5-EN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O4
InChI InChI=1S/C8H12O4/c9-4-3-8(12)5-6(10)1-2-7(8)11/h1-2,6,9-10,12H,3-5H2/t6-,8-/m0/s1
InChIKey ZNHAIJGMZCDGLQ-XPUUQOCRSA-N
Literature Reference Author A.BRACA,N.DETOMMASI,L.DIBARI,C.PIZZA,M.POLITI,I.MORELLI
Literature Reference Citation J.NAT.PROD.,64,892(2001)
Literature Reference DOI 10.1021/np0100845
Molecular Weight 172.181 g/mol
Solvent CD3OD
Source File Reference UWSI1208