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2-EPI-[6-(2)H]-VALIENONE

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2-EPI-[6-(2)H]-VALIENONE
SpectraBase Compound ID I0wFEb68340
InChI InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6-,7+/m1/s1
InChIKey WQMTVIWUDHFWNR-QYNIQEEDSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F64MgcO98Kx
Name 2-EPI-[6-(2)H]-VALIENONE
Compound Number [6-(2)H]-11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,5-8,10-12H,2H2/t5-,6-,7+/m1/s1
InChIKey WQMTVIWUDHFWNR-QYNIQEEDSA-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 174.153 g/mol
Solvent CD3OD
Source File Reference UWRU11444