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3-Hydroperoxy-2-(3-trifluoromethylbenzoylamino)-2,3,4,5,6,7-hexahydro-1,2-benzisothiazole 1,1-dioxide
SpectraBase Compound ID CME6G2RXVVm
InChI InChI=1S/C15H15F3N2O5S/c16-15(17,18)10-5-3-4-9(8-10)13(21)19-20-14(25-22)11-6-1-2-7-12(11)26(20,23)24/h3-5,8,14,22H,1-2,6-7H2,(H,19,21)
InChIKey FDJWNRYAAOLGQP-UHFFFAOYSA-N
Mol Weight 392.35 g/mol
Molecular Formula C15H15F3N2O5S
Exact Mass 392.065377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ntz4bfGih8
Name 3-Hydroperoxy-2-(3-trifluoromethylbenzoylamino)-2,3,4,5,6,7-hexahydro-1,2-benzisothiazole 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15F3N2O5S
InChI InChI=1S/C15H15F3N2O5S/c16-15(17,18)10-5-3-4-9(8-10)13(21)19-20-14(25-22)11-6-1-2-7-12(11)26(20,23)24/h3-5,8,14,22H,1-2,6-7H2,(H,19,21)
InChIKey FDJWNRYAAOLGQP-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200003)342_3_291
Molecular Weight 392.349 g/mol
SMILES OOC1C=2CCCCC2S(N1NC(c1cc(ccc1)C(F)(F)F)=O)(=O)=O
SPLASH splash10-00dj-1900000000-0360019267ced5932d60
Source of Spectrum JF-342-295-8i
Synonyms N-(3-hydroperoxy-1,1-dioxido-4,5,6,7-tetrahydrobenzo[d]isothiazol-2(3H)-yl)-3-(trifluoromethyl)benzamide
Wiley ID 1766918