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2-n-Butyl-3-trifluoromethyl-3-hydroxy-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
SpectraBase Compound ID 99mKZvWHjuk
InChI InChI=1S/C12H14F3NO3S/c1-2-3-8-16-11(17,12(13,14)15)9-6-4-5-7-10(9)20(16,18)19/h4-7,17H,2-3,8H2,1H3
InChIKey XARSGNDIYAVBPX-UHFFFAOYSA-N
Mol Weight 309.3 g/mol
Molecular Formula C12H14F3NO3S
Exact Mass 309.064649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ALKqAHQaQb
Name 2-n-Butyl-3-trifluoromethyl-3-hydroxy-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14F3NO3S
InChI InChI=1S/C12H14F3NO3S/c1-2-3-8-16-11(17,12(13,14)15)9-6-4-5-7-10(9)20(16,18)19/h4-7,17H,2-3,8H2,1H3
InChIKey XARSGNDIYAVBPX-UHFFFAOYSA-N
Molecular Weight 309.303 g/mol
SMILES OC1(N(S(c2c1cccc2)(=O)=O)CCCC)C(F)(F)F
SPLASH splash10-000i-0290000000-f247fa83efac05b2d071
Source of Spectrum H1-48-1646-4
Synonyms 2-Butyl-3-(trifluoromethyl)-2,3-dihydro-1,2-benzisothiazol-3-ol 1,1-dioxide
Wiley ID 816514