John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=88NXDgQL6to SpectraBase Spectrum ID=1IjwW4MXRu0

(accessed ).
N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(4-CHLOROPHENYL)-1-PIPERAZINE-CARBOXIMIDAMIDE
SpectraBase Compound ID 88NXDgQL6to
InChI InChI=1S/C16H20ClN8OPS/c17-12-3-5-13(6-4-12)24-8-10-25(11-9-24)23-20-16(18)22-27(28)21-15-14(26-27)2-1-7-19-15/h1-7,23H,8-11H2,(H4,18,19,20,21,22,28)
InChIKey MIRMHIQQJXDVTA-UHFFFAOYSA-N
Mol Weight 438.88 g/mol
Molecular Formula C16H20ClN8OPS
Exact Mass 438.090695 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IjwW4MXRu0
Name N(1)-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-4-(4-CHLOROPHENYL)-1-PIPERAZINE-CARBOXIMIDAMIDE
Compound Number 5I
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20ClN8OPS
InChI InChI=1S/C16H20ClN8OPS/c17-12-3-5-13(6-4-12)24-8-10-25(11-9-24)23-20-16(18)22-27(28)21-15-14(26-27)2-1-7-19-15/h1-7,23H,8-11H2,(H4,18,19,20,21,22,28)
InChIKey MIRMHIQQJXDVTA-UHFFFAOYSA-N
Literature Reference Author V.R.KATLA,R.SYED,R.SYED,C.S.KURUVA,H.K.KUNTRAPAKAM,N.R.CHAMA RTHI
Literature Reference Citation CHEM.PHARM.BULL.,61,25(2013)
Literature Reference DOI 10.1248/cpb.c12-00582
Solvent DMSO-D6
Source File Reference UWBT4811
SpectraBase Batch ID LqcS6imSs2M