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5-Phenylsulphonyloxy-6-nitro-1,3-benzoxathiolan-2-one
SpectraBase Compound ID HNj86f6jZQk
InChI InChI=1S/C13H7NO7S2/c15-13-20-11-6-9(14(16)17)10(7-12(11)22-13)21-23(18,19)8-4-2-1-3-5-8/h1-7H
InChIKey ZVWHZZAJWDRVJM-UHFFFAOYSA-N
Mol Weight 353.32 g/mol
Molecular Formula C13H7NO7S2
Exact Mass 352.966394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFI28LSxXOV
Name 5-Phenylsulphonyloxy-6-nitro-1,3-benzoxathiolan-2-one
Alternate Name(s) 6-Nitro-2-oxo-1,3-benzoxathiol-5-yl benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7NO7S2
InChI InChI=1S/C13H7NO7S2/c15-13-20-11-6-9(14(16)17)10(7-12(11)22-13)21-23(18,19)8-4-2-1-3-5-8/h1-7H
InChIKey ZVWHZZAJWDRVJM-UHFFFAOYSA-N
Molecular Weight 353.319 g/mol
SMILES c1(c(cc2c(c1)OC(S2)=O)OS(=O)(=O)c1ccccc1)N(=O)=O
SPLASH splash10-004l-9300000000-bf5b522a37c95cf93394
Wiley ID 1467075