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2,5-Bis(butylsulfanyl)-4,7-dinitrofluoren-9-one
SpectraBase Compound ID CSts8P0gBLi
InChI InChI=1S/C21H22N2O5S2/c1-3-5-7-29-14-11-16-19(17(12-14)23(27)28)20-15(21(16)24)9-13(22(25)26)10-18(20)30-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKey PWRRTIBIIVYZDN-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C21H22N2O5S2
Exact Mass 446.097014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10UBV9CGTqr
Name 2,5-Bis(butylsulfanyl)-4,7-dinitrofluoren-9-one
Alternate Name(s) 2,5-bis(butylthio)-4,7-dinitro-9-fluorenone 2,5-bis(butylthio)-4,7-dinitro-fluoren-9-one
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Formula C21H22N2O5S2
InChI InChI=1S/C21H22N2O5S2/c1-3-5-7-29-14-11-16-19(17(12-14)23(27)28)20-15(21(16)24)9-13(22(25)26)10-18(20)30-8-6-4-2/h9-12H,3-8H2,1-2H3
InChIKey PWRRTIBIIVYZDN-UHFFFAOYSA-N
Molecular Weight 446.536 g/mol
SMILES C1(c2cc(cc(c2-c2c(cc(cc12)N(=O)=O)SCCCC)N(=O)=O)SCCCC)=O
SPLASH splash10-052b-3015900000-c030b0f5895f9a933739
Source of Spectrum J-65-3061-4
Wiley ID 1532614