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1-[2-(1-(2-Bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboyloxyl)eth-1-yl]-4-[(E)-1,2-(dimethoxycarbonyl)ethen-1-yl]piperazine
SpectraBase Compound ID F62hUwPunbK
InChI InChI=1S/C22H26BrN5O6/c1-15-20(24-25-28(15)17-7-5-4-6-16(17)23)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 SMTKSHXIEXYGSH-NBVRZTHBSA-N
Mol Weight 536.38 g/mol
Molecular Formula C22H26BrN5O6
Exact Mass 535.106647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is3cOhFwJL9
Name 1-[2-(1-(2-Bromophenyl)-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-(2-bromophenyl)-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 C22H26BrN5O6
InChI InChI=1S/C22H26BrN5O6/c1-15-20(24-25-28(15)17-7-5-4-6-16(17)23)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 SMTKSHXIEXYGSH-NBVRZTHBSA-N
Literature Reference DOI 10.1039/c4ra14811h
Molecular Weight 536.383 g/mol
SMILES C(=O)(c1nn[n](c1C)-c1ccccc1Br)OCCN1CCN(CC1)\C(C(=O)OC)=C/C(=O)OC
SPLASH splash10-0006-1691100000-4f5a34e9199d054b783b
Source of Spectrum RSA-5-10768/SM-43a
Wiley ID 1760205