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1-[2-(1-(4-Ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID 8jBGYjjEuX6
InChI InChI=1S/C24H31N5O7/c1-5-35-19-8-6-18(7-9-19)29-17(2)22(25-26-29)24(32)36-15-14-27-10-12-28(13-11-27)20(23(31)34-4)16-21(30)33-3/h6-9,16H,5,10-15H2,1-4H3/b20-16+
InChIKey MZVGNJOCRPOBIJ-CAPFRKAQSA-N
Mol Weight 501.54 g/mol
Molecular Formula C24H31N5O7
Exact Mass 501.222348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WtKBzddoPD
Name 1-[2-(1-(4-Ethoxyphenyl)-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 C24H31N5O7
InChI InChI=1S/C24H31N5O7/c1-5-35-19-8-6-18(7-9-19)29-17(2)22(25-26-29)24(32)36-15-14-27-10-12-28(13-11-27)20(23(31)34-4)16-21(30)33-3/h6-9,16H,5,10-15H2,1-4H3/b20-16+
InChIKey MZVGNJOCRPOBIJ-CAPFRKAQSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 501.540 g/mol
SMILES Cc1[n](nnc1C(OCCN1CCN(CC1)\C(C(=O)OC)=C/C(=O)OC)=O)-c1ccc(cc1)OCC
SPLASH splash10-0006-4193100000-2fc12e42b1608c9c7dba
Source of Spectrum RSA-5-10768/SM-38a
Synonyms Dimethyl 2-(4-(2-((1-(4-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)oxy)ethyl)piperazin-1-yl)maleate
Wiley ID 1760198