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1,2-Benzisothiazole-2-acetamide, 2,3-dihydro-6-nitro-3-oxo-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID I8u78AFFxn7
InChI InChI=1S/C16H10F3N3O4S/c17-16(18,19)9-2-1-3-10(6-9)20-14(23)8-21-15(24)12-5-4-11(22(25)26)7-13(12)27-21/h1-7H,8H2,(H,20,23)
InChIKey IMXOQYFSWLAYDW-UHFFFAOYSA-N
Mol Weight 397.33 g/mol
Molecular Formula C16H10F3N3O4S
Exact Mass 397.034411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqdP4SzBNBr
Name 1,2-Benzisothiazole-2-acetamide, 2,3-dihydro-6-nitro-3-oxo-N-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10F3N3O4S
InChI InChI=1S/C16H10F3N3O4S/c17-16(18,19)9-2-1-3-10(6-9)20-14(23)8-21-15(24)12-5-4-11(22(25)26)7-13(12)27-21/h1-7H,8H2,(H,20,23)
InChIKey IMXOQYFSWLAYDW-UHFFFAOYSA-N
Molecular Weight 397.328 g/mol
SMILES N(C(=O)CN1C(c2ccc(cc2S1)N(=O)=O)=O)c1cc(ccc1)C(F)(F)F
SPLASH splash10-0a59-2970000000-ae5c7ff7744baa20ecfc
Source of Spectrum IY-2-5015-0
Synonyms 2-(6-nitro-3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide 2-(6-nitro-3-oxo-1,2-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide 2-(6-nitro-3-oxidanylidene-1,2-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide
Wiley ID 1658133