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1-[2-(1-(4-Chlorophenyl)-5-methoxy-1H-1,2,3-triazole-4-carboyloxyl)eth-1-y]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID JmKwhD2QtbS
InChI InChI=1S/C22H26ClN5O7/c1-32-18(29)14-17(21(30)34-3)27-10-8-26(9-11-27)12-13-35-22(31)19-20(33-2)28(25-24-19)16-6-4-15(23)5-7-16/h4-7,14H,8-13H2,1-3H3/b17-14+
InChIKey WPWHLPULELBYAN-SAPNQHFASA-N
Mol Weight 507.93 g/mol
Molecular Formula C22H26ClN5O7
Exact Mass 507.152076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DR0kHjSseaU
Name 1-[2-(1-(4-Chlorophenyl)-5-methoxy-1H-1,2,3-triazole-4-carboyloxyl)eth-1-y]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
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Formula C22H26ClN5O7
InChI InChI=1S/C22H26ClN5O7/c1-32-18(29)14-17(21(30)34-3)27-10-8-26(9-11-27)12-13-35-22(31)19-20(33-2)28(25-24-19)16-6-4-15(23)5-7-16/h4-7,14H,8-13H2,1-3H3/b17-14+
InChIKey WPWHLPULELBYAN-SAPNQHFASA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 507.931 g/mol
SMILES c1(OC)[n](nnc1C(OCCN1CCN(CC1)\C(C(=O)OC)=C/C(OC)=O)=O)-c1ccc(cc1)Cl
SPLASH splash10-0006-9441100000-8e59fc197c84e406d2db
Source of Spectrum RSA-5-10768/SM-41a
Synonyms Dimethyl 2-(4-(2-((1-(4-chlorophenyl)-5-methoxy-1H-1,2,3-triazole-4-carbonyl)oxy)ethyl)piperazin-1-yl)maleate
Wiley ID 1760203