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O,O-Diethyl .alpha.-[1-(2-chloro-thiazol-5-ylmethyl)-5-methyl-1H-1,2,3-triazol-4-ylcarbonyloxy]4-methoxybenzylphosphonate
SpectraBase Compound ID BIYe36qH1Io
InChI InChI=1S/C20H24ClN4O6PS/c1-5-29-32(27,30-6-2)19(14-7-9-15(28-4)10-8-14)31-18(26)17-13(3)25(24-23-17)12-16-11-22-20(21)33-16/h7-11,19H,5-6,12H2,1-4H3
InChIKey QWTVFNUBCJPOAT-UHFFFAOYSA-N
Mol Weight 514.92 g/mol
Molecular Formula C20H24ClN4O6PS
Exact Mass 514.08427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FchBShxZn7
Name O,O-Diethyl .alpha.-[1-(2-chloro-thiazol-5-ylmethyl)-5-methyl-1H-1,2,3-triazol-4-ylcarbonyloxy]4-methoxybenzylphosphonate
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Formula C20H24ClN4O6PS
InChI InChI=1S/C20H24ClN4O6PS/c1-5-29-32(27,30-6-2)19(14-7-9-15(28-4)10-8-14)31-18(26)17-13(3)25(24-23-17)12-16-11-22-20(21)33-16/h7-11,19H,5-6,12H2,1-4H3
InChIKey QWTVFNUBCJPOAT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200790342
Molecular Weight 514.921 g/mol
SMILES C(OP(OCC)(C(OC(=O)c1nn[n](Cc2sc(Cl)nc2)c1C)c1ccc(cc1)OC)=O)C
SPLASH splash10-0a73-5900010000-c0d43938f6030ab7d243
Source of Spectrum CJC-25-1857-7e
Synonyms (diethoxyphosphoryl)(4-methoxyphenyl)methyl 1-((2-chlorothiazol-5-yl)methyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate 1-[(2-chloro-5-thiazolyl)methyl]-5-methyl-4-triazolecarboxylic acid [diethoxyphosphoryl-(4-methoxyphenyl)methyl] ester [diethoxyphosphoryl-(4-methoxyphenyl)methyl] 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyltriazole-4-carboxylate [diethoxyphosphoryl-(4-methoxyphenyl)methyl] 1-[(2-chlorothiazol-5-yl)methyl]-5-methyl-triazole-4-carboxylate [diethoxyphosphoryl-(4-methoxyphenyl)methyl] 1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-5-methyl-1,2,3-triazole-4-carboxylate
Wiley ID 1774396