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1-EPI-[1-(13)C]-VALIENOL

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1-EPI-[1-(13)C]-VALIENOL
SpectraBase Compound ID EuxuxBs9vaJ
InChI InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5-,6+,7+/m1/s1
InChIKey PJPGMULJEYSZBS-JWXFUTCRSA-N
Mol Weight 176.17 g/mol
Molecular Formula C7H12O5
Exact Mass 176.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fff0i6l6fQx
Name 1-EPI-[1-(13)C]-VALIENOL
Compound Number [1-(13)C]-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O5
InChI InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5-,6+,7+/m1/s1
InChIKey PJPGMULJEYSZBS-JWXFUTCRSA-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 176.169 g/mol
Solvent CD3OD
Source File Reference UWRU11437