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Ethyl (trans)-5-amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5",5"-dimethyl-2"-oxo-4"--1",3",2"-dioxaphosphinan-2"-yl)-1H-pyrazole-4-carboxylate

View entire compound with spectra: 2 MS (GC)

Ethyl (trans)-5-amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5",5"-dimethyl-2"-oxo-4"-<p-chlorophenyl>-1",3",2"-dioxaphosphinan-2"-yl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID K0dX7fG4RvZ
InChI InChI=1S/C23H26Cl2N5O5P/c1-4-33-22(31)18-20(26)30(29-21(18)28-12-14-5-10-17(25)27-11-14)36(32)34-13-23(2,3)19(35-36)15-6-8-16(24)9-7-15/h5-11,19H,4,12-13,26H2,1-3H3,(H,28,29)/t19-,36+/m1/s1
InChIKey UYBKRRVSOQDKQQ-TVKFYGHBSA-N
Mol Weight 554.37 g/mol
Molecular Formula C23H26Cl2N5O5P
Exact Mass 553.104861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4R88l2OyKAw
Name Ethyl (trans)-5-amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5",5"-dimethyl-2"-oxo-4"--1",3",2"-dioxaphosphinan-2"-yl)-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl (cis)-5-amino-3-[(6'-chloro-3'-pyridyl)methyl]amino-1-(5'',5''-dimethyl-2''-oxo-4''--1'',3'',2''-dioxaphosphinan-2''-yl)-1H-pyrazole-4-carboxylate 5-Amino-1-[4-(4-chlorophenyl)-2-keto-5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl]-3-[(6-chloro-3-pyridyl)methylamino]pyrazole-4-carboxylic acid ethyl ester 5-Amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl]-3-[(6-chloro-3-pyridinyl)methylamino]-4-pyrazolecarboxylic acid ethyl ester Ethyl 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-3-{[(6-chloro-3-pyridinyl)methyl]amino}-1H-pyrazole-4-carboxylate Ethyl 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yl]-3-[(6-chloro-3-pyridyl)methylamino]pyrazole-4-carboxylate Ethyl 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2-dioxaphosphinan-2-yl]-3-[(6-chloropyridin-3-yl)methylamino]pyrazole-4-carboxylate Ethyl 5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxidanylidene-1,3,2-dioxaphosphinan-2-yl]pyrazole-4-carboxylate 5-Amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]-3-[(6-chloro-3-pyridinyl)methylamino]-4-pyrazolecarboxylic acid ethyl ester Ethyl 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]-3-[(6-chloropyridin-3-yl)methylamino]pyrazole-4-carboxylate Ethyl 5-amino-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]-3-[(6-chloro-3-pyridyl)methylamino]pyrazole-4-carboxylate Ethyl 5-azanyl-3-[(6-chloranylpyridin-3-yl)methylamino]-1-[4-(4-chlorophenyl)-5,5-dimethyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]pyrazole-4-carboxylate
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Formula C23H26Cl2N5O5P
InChI InChI=1S/C23H26Cl2N5O5P/c1-4-33-22(31)18-20(26)30(29-21(18)28-12-14-5-10-17(25)27-11-14)36(32)34-13-23(2,3)19(35-36)15-6-8-16(24)9-7-15/h5-11,19H,4,12-13,26H2,1-3H3,(H,28,29)/t19-,36+/m1/s1
InChIKey UYBKRRVSOQDKQQ-TVKFYGHBSA-N
Molecular Weight 554.371 g/mol
SMILES N(c1n[n](c(c1C(=O)OCC)N)[P@]1(O[C@](c2ccc(cc2)Cl)(C(CO1)(C)C)[H])=O)Cc1cnc(cc1)Cl
SPLASH splash10-0pb9-1000090000-573c0f08017225417864
Source of Spectrum AJ-43-1024-0
Wiley ID 1594194