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[1-(13)C]-VALIOLONE

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[1-(13)C]-VALIOLONE
SpectraBase Compound ID LZQyTXH1WSG
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-/m0/s1
InChIKey JCZFNXYQGNLHDQ-VZFHVOOUSA-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 1Rpa9AIPw13
Name [1-(13)C]-VALIOLONE
Compound Number [1-(13)C]-4
Copyright Copyright © 2016-2024 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-/m0/s1
InChIKey JCZFNXYQGNLHDQ-VZFHVOOUSA-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 UWRU11433