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Benzenecarboximidamide, N-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-N'-(4-nitrophenyl)-
SpectraBase Compound ID HTJun4RmtQt
InChI InChI=1S/C26H21N3O5S/c1-19-7-17-25(18-8-19)35(32,33)34-24-15-11-22(12-16-24)28-26(20-5-3-2-4-6-20)27-21-9-13-23(14-10-21)29(30)31/h2-18H,1H3,(H,27,28)
InChIKey DHLQPCIGBIQEHU-UHFFFAOYSA-N
Mol Weight 487.53 g/mol
Molecular Formula C26H21N3O5S
Exact Mass 487.120192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7pgH3CMTOT
Name Benzenecarboximidamide, N-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-N'-(4-nitrophenyl)-
Alternate Name(s) 4-{[(E)-[(4-nitrophenyl)imino](phenyl)methyl]amino}phenyl 4-methylbenzenesulfonate N-[4-(4-methylphenylsulfonyloxy)phenyl]-N'-(4-nitrophenyl)benzamidine
CAS Registry Number 86317-97-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O5S
InChI InChI=1S/C26H21N3O5S/c1-19-7-17-25(18-8-19)35(32,33)34-24-15-11-22(12-16-24)28-26(20-5-3-2-4-6-20)27-21-9-13-23(14-10-21)29(30)31/h2-18H,1H3,(H,27,28)
InChIKey DHLQPCIGBIQEHU-UHFFFAOYSA-N
Molecular Weight 487.530 g/mol
SMILES N(\C(=N\c1ccc(N(=O)=O)cc1)c1ccccc1)c1ccc(OS(c2ccc(cc2)C)(=O)=O)cc1
SPLASH splash10-004i-1695200000-e7caebfc3dcd5a3dd009
Source of Spectrum K-116-1829-0
Wiley ID 1396695