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1-(1-(4-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyloxy)-(E)-1,2-di(methoxycarbonyl)ethene
SpectraBase Compound ID JhTRmEFHrZT
InChI InChI=1S/C16H14ClN3O6/c1-9-14(18-19-20(9)11-6-4-10(17)5-7-11)16(23)26-12(15(22)25-3)8-13(21)24-2/h4-8H,1-3H3/b12-8+
InChIKey VBJMKMAGLBQCBJ-XYOKQWHBSA-N
Mol Weight 379.76 g/mol
Molecular Formula C16H14ClN3O6
Exact Mass 379.057113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I21k1uZeIog
Name 1-(1-(4-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyloxy)-(E)-1,2-di(methoxycarbonyl)ethene
Alternate Name(s) Dimethyl 2-((1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)oxy)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClN3O6
InChI InChI=1S/C16H14ClN3O6/c1-9-14(18-19-20(9)11-6-4-10(17)5-7-11)16(23)26-12(15(22)25-3)8-13(21)24-2/h4-8H,1-3H3/b12-8+
InChIKey VBJMKMAGLBQCBJ-XYOKQWHBSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 379.756 g/mol
SMILES C(O\C(=C\C(=O)OC)C(=O)OC)(=O)c1nn[n](c1C)-c1ccc(cc1)Cl
SPLASH splash10-0006-3921000000-d3d6bd22fa63a369e235
Source of Spectrum RSA-5-10768/SM-36b
Wiley ID 1760196