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1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]piperazine
SpectraBase Compound ID B6NK41KfWsk
InChI InChI=1S/C22H27N5O6/c1-16-20(23-24-27(16)17-7-5-4-6-8-17)22(30)33-14-13-25-9-11-26(12-10-25)18(21(29)32-3)15-19(28)31-2/h4-8,15H,9-14H2,1-3H3/b18-15+
InChIKey GPOAEOUPVXKBEK-OBGWFSINSA-N
Mol Weight 457.49 g/mol
Molecular Formula C22H27N5O6
Exact Mass 457.196134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxBaecJ75BI
Name 1-[(E)-1,2-(Dimethoxycarbonyl)ethen-1-yl]-4-[2-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27N5O6
InChI InChI=1S/C22H27N5O6/c1-16-20(23-24-27(16)17-7-5-4-6-8-17)22(30)33-14-13-25-9-11-26(12-10-25)18(21(29)32-3)15-19(28)31-2/h4-8,15H,9-14H2,1-3H3/b18-15+
InChIKey GPOAEOUPVXKBEK-OBGWFSINSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 457.487 g/mol
SMILES Cc1[n](nnc1C(OCCN1CCN(CC1)\C(C(=O)OC)=C/C(=O)OC)=O)-c1ccccc1
SPLASH splash10-0006-9221000000-d21d657e14cffccb012a
Source of Spectrum RSA-5-10768/SM-37a
Synonyms Dimethyl 2-(4-(2-((5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)oxy)ethyl)piperazin-1-yl)maleate
Wiley ID 1760197