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4-[(4'-Nitro[1,1'-biphenyl]-4-yl)sulfonyl]benzoic acid
SpectraBase Compound ID DPmero1Czfo
InChI InChI=1S/C19H13NO6S/c21-19(22)15-5-11-18(12-6-15)27(25,26)17-9-3-14(4-10-17)13-1-7-16(8-2-13)20(23)24/h1-12H,(H,21,22)
InChIKey ZKKUREOWLHGSBL-UHFFFAOYSA-N
Mol Weight 383.37 g/mol
Molecular Formula C19H13NO6S
Exact Mass 383.046358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmDMVyjQPMH
Name 4-(4'-NITRO-4-BIPHENYLYLSULFONYL)BENZOIC ACID
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Formula C19H13NO6S
InChI InChI=1S/C19H13NO6S/c21-19(22)15-5-11-18(12-6-15)27(25,26)17-9-3-14(4-10-17)13-1-7-16(8-2-13)20(23)24/h1-12H,(H,21,22)
InChIKey ZKKUREOWLHGSBL-UHFFFAOYSA-N
Molecular Weight 383.0460
SMILES OC(=O)c1ccc(S(c2ccc(-c3ccc(N(=O)=O)cc3)cc2)(=O)=O)cc1
SPLASH splash10-0udi-9800000000-f8637b5a3f2f9d55021c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany