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2-(3-Chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1,2-benzothiazol-3-one
SpectraBase Compound ID 2KhuH4HDduf
InChI InChI=1S/C16H10ClF3N2O4S/c1-8-10(17)3-2-4-11(8)21-15(23)14-12(26-7-16(18,19)20)5-9(22(24)25)6-13(14)27-21/h2-6H,7H2,1H3
InChIKey DXDXEHZMRORZAQ-UHFFFAOYSA-N
Mol Weight 418.77 g/mol
Molecular Formula C16H10ClF3N2O4S
Exact Mass 418.00019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWvFFyIe1Xg
Name 2-(3-Chloranyl-2-methyl-phenyl)-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1,2-benzothiazol-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClF3N2O4S
InChI InChI=1S/C16H10ClF3N2O4S/c1-8-10(17)3-2-4-11(8)21-15(23)14-12(26-7-16(18,19)20)5-9(22(24)25)6-13(14)27-21/h2-6H,7H2,1H3
InChIKey DXDXEHZMRORZAQ-UHFFFAOYSA-N
Molecular Weight 418.774 g/mol
SMILES c12c(c(cc(c2)N(=O)=O)OCC(F)(F)F)C(N(S1)c1c(c(ccc1)Cl)C)=O
SPLASH splash10-0udl-9412400000-2a58d4b6f218991947a7
Synonyms 2-(3-Chloro-2-methyl-phenyl)-6-nitro-4-(2,2,2-trifluoroethoxy)-1,2-benzothiazol-3-one
Wiley ID 1512352