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5,7-Dinitro-2-phenyl-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide
SpectraBase Compound ID I24CeKpGO1q
InChI InChI=1S/C14H9N3O7S/c18-14-13(8-4-2-1-3-5-8)25(23,24)11-7-9(16(19)20)6-10(17(21)22)12(11)15-14/h1-7,13H,(H,15,18)
InChIKey AUYAEXPFHQHAQM-UHFFFAOYSA-N
Mol Weight 363.3 g/mol
Molecular Formula C14H9N3O7S
Exact Mass 363.016121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29JrywTCLhb
Name 5,7-Dinitro-2-phenyl-2H-1,4-benzothiazin-3(4H)-one 1,1-dioxide
Alternate Name(s) 2H-1,4-Benzothiazin-3(4H)-one, 5,7-dinitro-2-phenyl-, 1,1-dioxide 5,7-Dinitro-1,1-dioxo-2-phenyl-4H-1$l^{6},4-benzothiazin-3-one 5,7-Dinitro-1,1-bis(oxidanylidene)-2-phenyl-4H-1$l^{6},4-benzothiazin-3-one
CAS Registry Number 309286-34-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9N3O7S
InChI InChI=1S/C14H9N3O7S/c18-14-13(8-4-2-1-3-5-8)25(23,24)11-7-9(16(19)20)6-10(17(21)22)12(11)15-14/h1-7,13H,(H,15,18)
InChIKey AUYAEXPFHQHAQM-UHFFFAOYSA-N
Molecular Weight 363.300 g/mol
SMILES N1c2c(S(C(C1=O)c1ccccc1)(=O)=O)cc(cc2N(=O)=O)N(=O)=O
SPLASH splash10-06vl-6956000000-906b9d36832b0f0a0c24
Source of Spectrum SO-0-303-7
Wiley ID 864131