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1-Benzoylamino-8a-hydroperoxy-1,5,6,7,8,8a-hexahydro-4H-cyclohepta[c]isothiazole 2,2-dioxide
SpectraBase Compound ID Bsuzaxt5Y5m
InChI InChI=1S/C15H18N2O5S/c18-14(12-7-3-1-4-8-12)16-17-15(22-19)10-6-2-5-9-13(15)11-23(17,20)21/h1,3-4,7-8,11,19H,2,5-6,9-10H2,(H,16,18)
InChIKey FSEJVTCMQUQQIK-UHFFFAOYSA-N
Mol Weight 338.38 g/mol
Molecular Formula C15H18N2O5S
Exact Mass 338.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VRckpYgSxZ
Name 1-Benzoylamino-8a-hydroperoxy-1,5,6,7,8,8a-hexahydro-4H-cyclohepta[c]isothiazole 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18N2O5S
InChI InChI=1S/C15H18N2O5S/c18-14(12-7-3-1-4-8-12)16-17-15(22-19)10-6-2-5-9-13(15)11-23(17,20)21/h1,3-4,7-8,11,19H,2,5-6,9-10H2,(H,16,18)
InChIKey FSEJVTCMQUQQIK-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3897(200003)342_3_291
Molecular Weight 338.378 g/mol
SMILES N(N1C2(OO)C(=CS1(=O)=O)CCCCC2)C(c1ccccc1)=O
SPLASH splash10-0a6r-3900000000-a798c41533637cd97d0f
Source of Spectrum JF-342-295-9a
Synonyms N-(8a-hydroperoxy-2,2-dioxido-4,5,6,7,8,8a-hexahydro-1H-cyclohepta[c]isothiazol-1-yl)benzamide
Wiley ID 1766919