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2-[2-(N-(4-Methylphenylsulfonyl)aminophenyl]-4-(isopropyl)thiazol-5-carboxylic acid
SpectraBase Compound ID 7rG9k8IouyV
InChI InChI=1S/C20H20N2O4S2/c1-12(2)17-18(20(23)24)27-19(21-17)15-6-4-5-7-16(15)22-28(25,26)14-10-8-13(3)9-11-14/h4-12,22H,1-3H3,(H,23,24)
InChIKey PQYZDMWPEMVHGV-UHFFFAOYSA-N
Mol Weight 416.51 g/mol
Molecular Formula C20H20N2O4S2
Exact Mass 416.086449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72tNiv732j7
Name 2-[2-(N-(4-Methylphenylsulfonyl)aminophenyl]-4-(isopropyl)thiazol-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O4S2
InChI InChI=1S/C20H20N2O4S2/c1-12(2)17-18(20(23)24)27-19(21-17)15-6-4-5-7-16(15)22-28(25,26)14-10-8-13(3)9-11-14/h4-12,22H,1-3H3,(H,23,24)
InChIKey PQYZDMWPEMVHGV-UHFFFAOYSA-N
Molecular Weight 416.510 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1c(-c2sc(C(=O)O)c(n2)C(C)C)cccc1
SPLASH splash10-014i-1093000000-0403b5a3fbd8bae27bc1
Source of Spectrum SO-0-2025-18
Wiley ID 878862