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2-Butylsulfanyl-4,5,7-triinitrofluoren-9-one
SpectraBase Compound ID JHDeTHYvrQK
InChI InChI=1S/C17H13N3O8S/c1-2-3-4-29(28)10-7-12-16(14(8-10)20(26)27)15-11(17(12)21)5-9(18(22)23)6-13(15)19(24)25/h5-8H,2-4H2,1H3
InChIKey FINGMKPLHVHTOP-UHFFFAOYSA-N
Mol Weight 419.36 g/mol
Molecular Formula C17H13N3O8S
Exact Mass 419.042336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4ebzWPNL7V
Name 2-Butylsulfanyl-4,5,7-triinitrofluoren-9-one
Alternate Name(s) 2-Butylsulfinyl-4,5,7-trinitro-9-fluorenone 2-Butylsulfinyl-4,5,7-trinitrofluoren-9-one
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Formula C17H13N3O8S
InChI InChI=1S/C17H13N3O8S/c1-2-3-4-29(28)10-7-12-16(14(8-10)20(26)27)15-11(17(12)21)5-9(18(22)23)6-13(15)19(24)25/h5-8H,2-4H2,1H3
InChIKey FINGMKPLHVHTOP-UHFFFAOYSA-N
Molecular Weight 419.364 g/mol
SMILES c12-c3c(N(=O)=O)cc(N(=O)=O)cc3C(c1cc(S(=O)CCCC)cc2N(=O)=O)=O
SPLASH splash10-03di-9001300000-b1982fa9f91c9645d08a
Source of Spectrum J-65-3062-8
Wiley ID 1532610