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(N'-anilino-N-phenylimino-carbamimidoyl) N-(4-chloroanilino)-2-oxo-propanimidothioate
SpectraBase Compound ID 33JVaaAGtfV
InChI InChI=1S/C22H19ClN6OS/c1-16(30)21(27-24-20-14-12-17(23)13-15-20)31-22(28-25-18-8-4-2-5-9-18)29-26-19-10-6-3-7-11-19/h2-15,24-25H,1H3
InChIKey QSHAXDFTFDNCQG-UHFFFAOYSA-N
Mol Weight 450.95 g/mol
Molecular Formula C22H19ClN6OS
Exact Mass 450.102958 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JO30FEfBCJk
Name (N'-anilino-N-phenylimino-carbamimidoyl) N-(4-chloroanilino)-2-oxo-propanimidothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19ClN6OS
InChI InChI=1S/C22H19ClN6OS/c1-16(30)21(27-24-20-14-12-17(23)13-15-20)31-22(28-25-18-8-4-2-5-9-18)29-26-19-10-6-3-7-11-19/h2-15,24-25H,1H3
InChIKey QSHAXDFTFDNCQG-UHFFFAOYSA-N
Instrument Name Shimadzu QP-2010
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5886
Molecular Weight 450.948 g/mol
SMILES N(N=C(SC(=NNc1ccc(Cl)cc1)C(C)=O)N=Nc1ccccc1)c1ccccc1
SPLASH splash10-00ou-9606600000-1aec4f7af2d80e3f7bd4
Source of Spectrum AOC-34-SM6-3d
Wiley ID 1855713