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3,4-TRANS-3,2'-ERYTHRO-4-[O-{N-(PARABrOMOPHENYL)-CARBAMOYL}]-OXY-3-(1-METHYLPYRROLIDIN-2-YL)-1,2-DITHIOLANE
SpectraBase Compound ID CaCqNSUrFVi
InChI InChI=1S/C15H19BrN2O2S2/c1-18-8-2-3-12(18)14-13(9-21-22-14)20-15(19)17-11-6-4-10(16)5-7-11/h4-7,12-14H,2-3,8-9H2,1H3,(H,17,19)/t12-,13+,14+/m0/s1
InChIKey JSKXQRYSWBCZFA-BFHYXJOUSA-N
Mol Weight 403.35 g/mol
Molecular Formula C15H19BrN2O2S2
Exact Mass 402.007133 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22PF3T1x7VS
Name 3,4-TRANS-3,2'-ERYTHRO-4-[O-{N-(PARABrOMOPHENYL)-CARBAMOYL}]-OXY-3-(1-METHYLPYRROLIDIN-2-YL)-1,2-DITHIOLANE
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19BrN2O2S2
InChI InChI=1S/C15H19BrN2O2S2/c1-18-8-2-3-12(18)14-13(9-21-22-14)20-15(19)17-11-6-4-10(16)5-7-11/h4-7,12-14H,2-3,8-9H2,1H3,(H,17,19)/t12-,13+,14+/m0/s1
InChIKey JSKXQRYSWBCZFA-BFHYXJOUSA-N
Literature Reference Author H.MITSUDERA,H.UNEME,Y.OKADA,M.NUMATA,A.KATO
Literature Reference Citation J.HETCYCL.CHEM.,27,1361(1990)
Literature Reference DOI 10.1002/jhet.5570270534
Molecular Weight 403.352 g/mol
Solvent CHCl3
Source File Reference UWMZ1127