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2-EPI-5-EPI-[6-(2)H(2)]-VALIOLONE

View entire compound with spectra: 2 NMR

2-EPI-5-EPI-[6-(2)H(2)]-VALIOLONE
SpectraBase Compound ID 3c7sBj4X7M8
InChI InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5-,6+,7?/m1/s1
InChIKey JCZFNXYQGNLHDQ-FTFTVQOISA-N
Mol Weight 192.17 g/mol
Molecular Formula C7H12O6
Exact Mass 192.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ceirKX9RrA
Name 2-EPI-5-EPI-[6-(2)H(2)]-VALIOLONE
Compound Number [6-(2)H(2 )]-10A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O6
InChI InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5-,6+,7?/m1/s1
InChIKey JCZFNXYQGNLHDQ-FTFTVQOISA-N
Literature Reference Author T.MAHMUD,I.TORNUS,E.EGELKROUT,E.WOLF,C.UY,H.G.FLOSS,S.LEE
Literature Reference Citation J.AM.CHEM.SOC.,121,6973(1999)
Literature Reference DOI 10.1021/ja991102w
Molecular Weight 192.169 g/mol
Solvent CD3OD
Source File Reference UWRU11441