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1-(METHYLTHIO)-ENDO-5-PHENYL-4-(TRICHLOROACETYL)-7-OXA-2-THIABICYCLO-[2.2.1]-HEPTANE-3-ONE
SpectraBase Compound ID 15iGNJavZpt
InChI InChI=1S/C14H11Cl3O3S2/c1-21-12-7-9(8-5-3-2-4-6-8)13(20-12,11(19)22-12)10(18)14(15,16)17/h2-6,9H,7H2,1H3/t9-,12-,13+/m0/s1
InChIKey MYNVHVOMGDOZHI-TVYUQYBPSA-N
Mol Weight 397.72 g/mol
Molecular Formula C14H11Cl3O3S2
Exact Mass 395.92152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3SXa6TMCEub
Name 1-(METHYLTHIO)-ENDO-5-PHENYL-4-(TRICHLOROACETYL)-7-OXA-2-THIABICYCLO-[2.2.1]-HEPTANE-3-ONE
CAS Registry Number 102435-85-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11Cl3O3S2
InChI InChI=1S/C14H11Cl3O3S2/c1-21-12-7-9(8-5-3-2-4-6-8)13(20-12,11(19)22-12)10(18)14(15,16)17/h2-6,9H,7H2,1H3/t9-,12-,13+/m0/s1
InChIKey MYNVHVOMGDOZHI-TVYUQYBPSA-N
Literature Reference Author H.GOTTHARDT,H.G.KINZELMANN,U.FEIST,J.BUDDRUS
Literature Reference Citation CHEM.BER.,119,2317(1986)
Literature Reference DOI 10.1002/cber.19861190723
Molecular Weight 397.719 g/mol
Solvent CDCl3
Source File Reference UWGB1622