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1,1-Diketo-4,6-dinitro-2-phenyl-1,2-benzothiazol-3-one
SpectraBase Compound ID 9JnVDG9TGWS
InChI InChI=1S/C13H7N3O7S/c17-13-12-10(16(20)21)6-9(15(18)19)7-11(12)24(22,23)14(13)8-4-2-1-3-5-8/h1-7H
InChIKey QRLCEDKHPJQFCZ-UHFFFAOYSA-N
Mol Weight 349.27 g/mol
Molecular Formula C13H7N3O7S
Exact Mass 349.000471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BO0fAwXmi
Name 1,1-Diketo-4,6-dinitro-2-phenyl-1,2-benzothiazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7N3O7S
InChI InChI=1S/C13H7N3O7S/c17-13-12-10(16(20)21)6-9(15(18)19)7-11(12)24(22,23)14(13)8-4-2-1-3-5-8/h1-7H
InChIKey QRLCEDKHPJQFCZ-UHFFFAOYSA-N
Molecular Weight 349.273 g/mol
SMILES C1(N(S(c2c1c(cc(c2)N(=O)=O)N(=O)=O)(=O)=O)c1ccccc1)=O
SPLASH splash10-01vo-9101000000-98671083f40bb90670a8
Source of Spectrum J-65-8443-27
Synonyms 4,6-Dinitro-1,1-bis(oxidanylidene)-2-phenyl-1,2-benzothiazol-3-one 4,6-Dinitro-1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one
Wiley ID 1533868