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1,2-Benzisothiazole-2-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-6-nitro-3-oxo-
SpectraBase Compound ID uWOMI9hE4d
InChI InChI=1S/C16H9ClF3N3O4S/c17-11-4-1-8(16(18,19)20)5-12(11)21-14(24)7-22-15(25)10-3-2-9(23(26)27)6-13(10)28-22/h1-6H,7H2,(H,21,24)
InChIKey ZIBJNLJYDDBBLZ-UHFFFAOYSA-N
Mol Weight 431.77 g/mol
Molecular Formula C16H9ClF3N3O4S
Exact Mass 430.995439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JO9qkJO9rHO
Name 1,2-Benzisothiazole-2-acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-6-nitro-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9ClF3N3O4S
InChI InChI=1S/C16H9ClF3N3O4S/c17-11-4-1-8(16(18,19)20)5-12(11)21-14(24)7-22-15(25)10-3-2-9(23(26)27)6-13(10)28-22/h1-6H,7H2,(H,21,24)
InChIKey ZIBJNLJYDDBBLZ-UHFFFAOYSA-N
Molecular Weight 431.773 g/mol
SMILES N(C(=O)CN1C(c2ccc(cc2S1)N(=O)=O)=O)c1cc(ccc1Cl)C(F)(F)F
SPLASH splash10-0a4r-2690000000-375f9481d99934a32605
Source of Spectrum IY-2-4971-5
Synonyms N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)acetamide N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)ethanamide
Wiley ID 1657698