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N-(2-[(E)-(2-Chloro-4,6-dinitrophenyl)diazenyl]-5-([2-(2-cyanoethoxy)ethyl]amino)-4-methoxyphenyl)propanamide
SpectraBase Compound ID KGExIR7VWxp
InChI InChI=1S/C21H22ClN7O7/c1-3-20(30)25-15-11-17(24-6-8-36-7-4-5-23)19(35-2)12-16(15)26-27-21-14(22)9-13(28(31)32)10-18(21)29(33)34/h9-12,24H,3-4,6-8H2,1-2H3,(H,25,30)/b27-26+
InChIKey BTZJHLSNGVJBBH-CYYJNZCTSA-N
Mol Weight 519.9 g/mol
Molecular Formula C21H22ClN7O7
Exact Mass 519.126924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIpGBdOFa8X
Name PROPANAMIDE, N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-[[2-(2-CYANOETHOXY)ETHYL]AMINO]-4-METHOXYPHENYL]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22N7O7Cl
InChI InChI=1S/C21H22ClN7O7/c1-3-20(30)25-15-11-17(24-6-8-36-7-4-5-23)19(35-2)12-16(15)26-27-21-14(22)9-13(28(31)32)10-18(21)29(33)34/h9-12,24H,3-4,6-8H2,1-2H3,(H,25,30)/b27-26+
InChIKey BTZJHLSNGVJBBH-CYYJNZCTSA-N
Molecular Weight 519.1265
SMILES N(C(CC)=O)c1cc(NCCOCCC#N)c(cc1\N=N\c1c(Cl)cc(N(=O)=O)cc1N(=O)=O)OC
SPLASH splash10-052f-8962510000-6e84c36ea8bb65287e58
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany