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N,N-Dibenzyl-1-(benzylthio)-3,4,4-trichloro-2-nitro-1,3-butadienylamine
SpectraBase Compound ID 438x9pQ0hpL
InChI InChI=1S/C25H21Cl3N2O2S/c26-22(24(27)28)23(30(31)32)25(33-18-21-14-8-3-9-15-21)29(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2/b25-23+
InChIKey YVCFQRZAFDMWQK-WJTDDFOZSA-N
Mol Weight 519.87 g/mol
Molecular Formula C25H21Cl3N2O2S
Exact Mass 518.038932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaGnQJhhfsE
Name N,N-DIBENZYL-1-(BENZYLTHIO)-3,4,4-TRICHLORO-2-NITRO-1,3-BUTADIENYLAMINE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H21Cl3N2O2S
InChI InChI=1S/C25H21Cl3N2O2S/c26-22(24(27)28)23(30(31)32)25(33-18-21-14-8-3-9-15-21)29(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15H,16-18H2/b25-23+
InChIKey YVCFQRZAFDMWQK-WJTDDFOZSA-N
Molecular Weight 518.0386
SMILES c1ccc(CN(Cc2ccccc2)\C(=C\(N(=O)=O)C(Cl)=C(Cl)Cl)SCc2ccccc2)cc1
SPLASH splash10-0006-9100000000-7e10d3d0353fde8b6dc9
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany