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N-(4-Methylphenylsulfonyl)imino-3-chloro-1,4-benzoquin-4-one
SpectraBase Compound ID 99EVvCOu07d
InChI InChI=1S/C13H10ClNO3S/c1-9-2-5-11(6-3-9)19(17,18)15-10-4-7-13(16)12(14)8-10/h2-8H,1H3/b15-10-
InChIKey BLEIWVZJFAVCGF-GDNBJRDFSA-N
Mol Weight 295.74 g/mol
Molecular Formula C13H10ClNO3S
Exact Mass 295.006992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LuxZJmCZSVi
Name N-(4-Methylphenylsulfonyl)imino-3-chloro-1,4-benzoquin-4-one
Alternate Name(s) N-[(1Z)-3-chloro-4-oxo-2,5-cyclohexadien-1-ylidene]-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClNO3S
InChI InChI=1S/C13H10ClNO3S/c1-9-2-5-11(6-3-9)19(17,18)15-10-4-7-13(16)12(14)8-10/h2-8H,1H3/b15-10-
InChIKey BLEIWVZJFAVCGF-GDNBJRDFSA-N
Molecular Weight 295.740 g/mol
SMILES C=1\C(=N/S(c2ccc(cc2)C)(=O)=O)C=CC(C1Cl)=O
SPLASH splash10-052f-9510000000-cf5706577f64bdfd0a40
Source of Spectrum O1-36-1187-2
Wiley ID 819767