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1-[2-(1-(3-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID GHPU2IMtHBj
InChI InChI=1S/C22H26ClN5O6/c1-15-20(24-25-28(15)17-6-4-5-16(23)13-17)22(31)34-12-11-26-7-9-27(10-8-26)18(21(30)33-3)14-19(29)32-2/h4-6,13-14H,7-12H2,1-3H3/b18-14+
InChIKey LSCWDVFZEFMGEM-NBVRZTHBSA-N
Mol Weight 491.93 g/mol
Molecular Formula C22H26ClN5O6
Exact Mass 491.157161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrssKAItG4X
Name 1-[2-(1-(3-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
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Formula C22H26ClN5O6
InChI InChI=1S/C22H26ClN5O6/c1-15-20(24-25-28(15)17-6-4-5-16(23)13-17)22(31)34-12-11-26-7-9-27(10-8-26)18(21(30)33-3)14-19(29)32-2/h4-6,13-14H,7-12H2,1-3H3/b18-14+
InChIKey LSCWDVFZEFMGEM-NBVRZTHBSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 491.932 g/mol
SMILES C(=O)(c1nn[n](c1C)-c1cccc(c1)Cl)OCCN1CCN(CC1)\C(C(=O)OC)=C/C(=O)OC
SPLASH splash10-0006-9771300000-c48f753723b7be1fe7da
Source of Spectrum RSA-5-10768/SM-44a
Synonyms Dimethyl 2-(4-(2-((1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)oxy)ethyl)piperazin-1-yl)maleate
Wiley ID 1760206