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exo-3-(2,4,-Dinitro-phenylthio)-exo-5-chlorotricyclo-[2.2.1.0(2,6)]-heptane
SpectraBase Compound ID EIxR4AxU4IK
InChI InChI=1S/C13H11ClN2O4S/c14-12-7-4-6-10(12)11(6)13(7)21-9-2-1-5(15(17)18)3-8(9)16(19)20/h1-3,6-7,10-13H,4H2/t6-,7+,10+,11-,12-,13+/m0/s1
InChIKey DOMCNZFGXCXRNH-DLYKFTQOSA-N
Mol Weight 326.75 g/mol
Molecular Formula C13H11ClN2O4S
Exact Mass 326.012806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKG8A3yIHKR
Name EXO-3-(2,4-DINITRO-PHENYLTHIO)-EXO-5-CHLOROTRICYCLO-[2.2.1.0(2,6)]-HEPTANE
Compound Number 2/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11ClN2O4S
InChI InChI=1S/C13H11ClN2O4S/c14-12-7-4-6-10(12)11(6)13(7)21-9-2-1-5(15(17)18)3-8(9)16(19)20/h1-3,6-7,10-13H,4H2/t6-,7+,10+,11-,12-,13+/m0/s1
InChIKey DOMCNZFGXCXRNH-DLYKFTQOSA-N
Literature Reference Author A.O.CHIZHOV,N.S.ZEFIROV,N.V.ZYK,T.C.MORRILL
Literature Reference Citation J.ORG.CHEM.,52,5647(1987)
Literature Reference DOI 10.1021/jo00235a002
Molecular Weight 326.754 g/mol
Solvent Unknown
Source File Reference UWGB789