John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8DmW3dLof99 SpectraBase Spectrum ID=2VrqepV0Yq2

(accessed ).
CRQXZEBJTSXBNA-UHFFFAOYSA-L
SpectraBase Compound ID 8DmW3dLof99
InChI InChI=1S/C5H7S.C5H.C3H10O3P.2ClH.Mo/c1-5(6-2)3-4-5;1-2-4-5-3-1;1-4-7(5-2)6-3;;;/h3-4H2,2H3;1H;7H,1-3H3;2*1H;/q;;+1;;;+1/p-2
InChIKey CRQXZEBJTSXBNA-UHFFFAOYSA-L
Mol Weight 451.17 g/mol
Molecular Formula C13H17Cl2MoO3PS
Exact Mass 451.906715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VrqepV0Yq2
Name CRQXZEBJTSXBNA-UHFFFAOYSA-L
Compound Number 6B
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17Cl2MoO3PS
InChI InChI=1S/C5H7S.C5H.C3H10O3P.2ClH.Mo/c1-5(6-2)3-4-5;1-2-4-5-3-1;1-4-7(5-2)6-3;;;/h3-4H2,2H3;1H;7H,1-3H3;2*1H;/q;;+1;;;+1/p-2
InChIKey CRQXZEBJTSXBNA-UHFFFAOYSA-L
Literature Reference Author M.D.MORTIMER,J.D.CARTER,K.B.KINGSBURY,K.A.ABBOUD,L.MCELWEE-W HITE
Literature Reference Citation J.AM.CHEM.SOC.,116,8629(1994)
Literature Reference DOI 10.1021/ja00098a024
Molecular Weight 451.156 g/mol
Solvent CDCl3
Source File Reference UWSI20015
SpectraBase Batch ID Bd7fr19uxwY