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1-[[(p-methylphenyl)sulfonyl]hydrazono]-1,2,3,4-tetrahydrobenz[5,6-a]anthracene-7,12-dione
SpectraBase Compound ID DQXsYWaxUza
InChI InChI=1S/C25H20N2O4S/c1-15-9-12-17(13-10-15)32(30,31)27-26-21-8-4-5-16-11-14-20-23(22(16)21)25(29)19-7-3-2-6-18(19)24(20)28/h2-3,6-7,9-14,27H,4-5,8H2,1H3/b26-21+
InChIKey WRWPTBYGDREPLK-YYADALCUSA-N
Mol Weight 444.51 g/mol
Molecular Formula C25H20N2O4S
Exact Mass 444.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jdHpMqv7f5
Name 1-[[(p-methylphenyl)sulfonyl]hydrazono]-1,2,3,4-tetrahydrobenz[5,6-a]anthracene-7,12-dione
Alternate Name(s) N'-((1E)-7,12-dioxo-3,4,7,12-tetrahydrobenzo[a]anthracen-1(2H)-ylidene)-4-methylbenzenesulfonohydrazide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20N2O4S
InChI InChI=1S/C25H20N2O4S/c1-15-9-12-17(13-10-15)32(30,31)27-26-21-8-4-5-16-11-14-20-23(22(16)21)25(29)19-7-3-2-6-18(19)24(20)28/h2-3,6-7,9-14,27H,4-5,8H2,1H3/b26-21+
InChIKey WRWPTBYGDREPLK-YYADALCUSA-N
Molecular Weight 444.505 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\1c2c3C(c4ccccc4C(c3ccc2CCC1)=O)=O
SPLASH splash10-00di-0090000000-37748d43d27b4569d7f7
Source of Spectrum J-54-855-19
Wiley ID 1386019