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5-Fluoranyl-1-methyl-6-nitro-3H-2,1-benzothiazole 2,2-dioxide
SpectraBase Compound ID 8Mju4yHOfIX
InChI InChI=1S/C8H7FN2O4S/c1-10-7-3-8(11(12)13)6(9)2-5(7)4-16(10,14)15/h2-3H,4H2,1H3
InChIKey NFKCDUFQGPPSDF-UHFFFAOYSA-N
Mol Weight 246.21 g/mol
Molecular Formula C8H7FN2O4S
Exact Mass 246.011056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XXdlMBEDw
Name 5-Fluoranyl-1-methyl-6-nitro-3H-2,1-benzothiazole 2,2-dioxide
CAS Registry Number 152339-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7FN2O4S
InChI InChI=1S/C8H7FN2O4S/c1-10-7-3-8(11(12)13)6(9)2-5(7)4-16(10,14)15/h2-3H,4H2,1H3
InChIKey NFKCDUFQGPPSDF-UHFFFAOYSA-N
Molecular Weight 246.212 g/mol
SMILES c12N(S(Cc1cc(c(c2)N(=O)=O)F)(=O)=O)C
SPLASH splash10-000j-2930000000-abe2e23a00d778115352
Source of Spectrum O-28-853-0
Synonyms 5-Fluoro-1-methyl-6-nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide 5-Fluoro-1-methyl-6-nitro-2,1-benzisothiazolidine, 2,2-dioxide 5-Fluoro-1-methyl-6-nitro-3H-2,1-benzothiazole 2,2-dioxide
Wiley ID 1248325