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N,N-Diethyl-2-methoxy-5-methylsulphonylamino-4-(2,4-dinitro-6-bromophenylazo)aniline
SpectraBase Compound ID JOgWhNwt40F
InChI InChI=1S/C18H21BrN6O7S/c1-5-23(6-2)15-9-14(22-33(4,30)31)13(10-17(15)32-3)20-21-18-12(19)7-11(24(26)27)8-16(18)25(28)29/h7-10,22H,5-6H2,1-4H3/b21-20+
InChIKey MMSOAHCQVCIWQU-QZQOTICOSA-N
Mol Weight 545.37 g/mol
Molecular Formula C18H21BrN6O7S
Exact Mass 544.037581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6n8NcIZjNnF
Name N,N-Diethyl-2-methoxy-5-methylsulphonylamino-4-(2,4-dinitro-6-bromophenylazo)aniline
Alternate Name(s) N-[2-[(E)-(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diethylamino)-4-methoxyphenyl]methanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21BrN6O7S
InChI InChI=1S/C18H21BrN6O7S/c1-5-23(6-2)15-9-14(22-33(4,30)31)13(10-17(15)32-3)20-21-18-12(19)7-11(24(26)27)8-16(18)25(28)29/h7-10,22H,5-6H2,1-4H3/b21-20+
InChIKey MMSOAHCQVCIWQU-QZQOTICOSA-N
Molecular Weight 545.365 g/mol
SMILES N(S(=O)(=O)C)c1c(\N=N\c2c(N(=O)=O)cc(N(=O)=O)cc2Br)cc(c(N(CC)CC)c1)OC
SPLASH splash10-003v-0000090000-e7d44e54b192a7628c5c
Source of Spectrum IC-1260-0-0
Wiley ID 1404986