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N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-N'-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-GUANIDINE

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N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-N'-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-GUANIDINE
SpectraBase Compound ID J9YjVRDAl6I
InChI InChI=1S/C13H11N8O3PS2/c14-12(20-25(26)19-11-9(24-25)2-1-5-15-11)17-18-13-16-8-4-3-7(21(22)23)6-10(8)27-13/h1-6H,(H,16,18)(H4,14,15,17,19,20,26)
InChIKey XFZOMFDDEFPGDY-UHFFFAOYSA-N
Mol Weight 422.38 g/mol
Molecular Formula C13H11N8O3PS2
Exact Mass 422.013316 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5E7W5BEkzaS
Name N-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)-N'-(2-THIOXO-2,3-DIHYDRO-2-LAMBDA(5)-PYRIDO-[2,3-D]-[1,3,2]-OXAZA-PHOSPHOL-2-YL)-GUANIDINE
Compound Number 5D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11N8O3PS2
InChI InChI=1S/C13H11N8O3PS2/c14-12(20-25(26)19-11-9(24-25)2-1-5-15-11)17-18-13-16-8-4-3-7(21(22)23)6-10(8)27-13/h1-6H,(H,16,18)(H4,14,15,17,19,20,26)
InChIKey XFZOMFDDEFPGDY-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 UWBT4806