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2-[BIS-(2-CHLORO-ETHYL)-AMINO]-6-PHENYL-1,2-DIHYDRO-[2-LAMBDA(5)]-[1,2,4]-TRIAZOLO-[4,3-D]-[1,3,4,2]-THIADIAZAPHOSPHOL-2-ONE

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2-[BIS-(2-CHLORO-ETHYL)-AMINO]-6-PHENYL-1,2-DIHYDRO-[2-LAMBDA(5)]-[1,2,4]-TRIAZOLO-[4,3-D]-[1,3,4,2]-THIADIAZAPHOSPHOL-2-ONE
SpectraBase Compound ID IcHcEuOn1e0
InChI InChI=1S/C12H14Cl2N5OPS/c13-6-8-18(9-7-14)21(20)17-19-11(15-16-12(19)22-21)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,20)
InChIKey OEQVUJQJNZURNV-UHFFFAOYSA-N
Mol Weight 378.22 g/mol
Molecular Formula C12H14Cl2N5OPS
Exact Mass 377.003374 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID SqCpq5m8bA
Name 2-[BIS-(2-CHLORO-ETHYL)-AMINO]-6-PHENYL-1,2-DIHYDRO-[2-LAMBDA(5)]-[1,2,4]-TRIAZOLO-[4,3-D]-[1,3,4,2]-THIADIAZAPHOSPHOL-2-ONE
Compound Number 3J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14Cl2N5OPS
InChI InChI=1S/C12H14Cl2N5OPS/c13-6-8-18(9-7-14)21(20)17-19-11(15-16-12(19)22-21)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,17,20)
InChIKey OEQVUJQJNZURNV-UHFFFAOYSA-N
Literature Reference Author A.BALAKRISHNA,M.V.N.REDDY,S.K.NAYAK,M.MANJUNATH,C.D.REDDY,C. S.REDDY
Literature Reference Citation CHEM.PHARM.BULL.,56,1486(2008)
Literature Reference DOI 10.1248/cpb.56.1486
Solvent DMSO-D6
Source File Reference UWIR2338