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1-[2-(1-(4-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 KTNwzK3UNp2
InChI InChI=1S/C22H26ClN5O6/c1-15-20(24-25-28(15)17-6-4-16(23)5-7-17)22(31)34-13-12-26-8-10-27(11-9-26)18(21(30)33-3)14-19(29)32-2/h4-7,14H,8-13H2,1-3H3/b18-14+
InChIKey CHTVSKFXNIJWIG-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 GwxUzOJkjuI
Name 1-[2-(1-(4-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]-4-[(E)-1,2- (dimethoxycarbonyl)ethen-1-yl]piperazine
Alternate Name(s) Dimethyl 2-(4-(2-((1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carbonyl)oxy)ethyl)piperazin-1-yl)maleate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26ClN5O6
InChI InChI=1S/C22H26ClN5O6/c1-15-20(24-25-28(15)17-6-4-16(23)5-7-17)22(31)34-13-12-26-8-10-27(11-9-26)18(21(30)33-3)14-19(29)32-2/h4-7,14H,8-13H2,1-3H3/b18-14+
InChIKey CHTVSKFXNIJWIG-NBVRZTHBSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 491.932 g/mol
SMILES Cc1[n](nnc1C(OCCN1CCN(CC1)\C(C(=O)OC)=C/C(OC)=O)=O)-c1ccc(cc1)Cl
SPLASH splash10-0006-3931100000-79e00662d1c9fa9e959d
Source of Spectrum RSA-5-10768/SM-36a
Wiley ID 1760195