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METHYL-TRICYCLO-[2.2.1.0(2,6)]-HEPT-3-YL-PHOSPHONIC-ACID-(4-CHLOROBENZYL)-THIURONIUM-SALT
SpectraBase Compound ID 5eXDOs99Ecg
InChI InChI=1S/C8H10ClN2S.C8H13O2P/c9-7-3-1-6(2-4-7)5-12-8(10)11;1-11(9,10)8-4-2-5-6(3-4)7(5)8/h1-4H,5,10-11H2;4-8H,2-3H2,1H3,(H,9,10)/q+1;/p-1/t;4-,5+,6-,7+,8-/m.0/s1
InChIKey JZCDFEZVXYAJBM-QZJKHKBUSA-M
Mol Weight 372.85 g/mol
Molecular Formula C16H22ClN2O2PS
Exact Mass 372.082814 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrUTGd9aCDO
Name METHYL-TRICYCLO-[2.2.1.0(2,6)]-HEPT-3-YL-PHOSPHONIC-ACID-(4-CHLOROBENZYL)-THIURONIUM-SALT
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22ClN2O2PS
InChI InChI=1S/C8H10ClN2S.C8H13O2P/c9-7-3-1-6(2-4-7)5-12-8(10)11;1-11(9,10)8-4-2-5-6(3-4)7(5)8/h1-4H,5,10-11H2;4-8H,2-3H2,1H3,(H,9,10)/q+1;/p-1/t;4-,5+,6-,7+,8-/m.0/s1
InChIKey JZCDFEZVXYAJBM-QZJKHKBUSA-M
Literature Reference Author S.E.CREMER,J.M.COWLES,F.R.FARR,H.O.HWANG,P.W.KREMER,A.C.PETE RSON,G.A.GRAY
Literature Reference Citation J.ORG.CHEM.,57,511(1992)
Literature Reference DOI 10.1021/jo00028a022
Solvent CD3OD
Source File Reference UWCS2036