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2-(2-butylsulfanyl-4,5,7-trinitro-fluoren-9-ylidene)propanedinitrile
SpectraBase Compound ID o2zyx67tRG
InChI InChI=1S/C20H13N5O6S/c1-2-3-4-32-13-7-15-18(11(9-21)10-22)14-5-12(23(26)27)6-16(24(28)29)19(14)20(15)17(8-13)25(30)31/h5-8H,2-4H2,1H3
InChIKey WLKOBNPRHZLUCX-UHFFFAOYSA-N
Mol Weight 451.41 g/mol
Molecular Formula C20H13N5O6S
Exact Mass 451.058654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MkzVDm4P5L
Name 2-(2-butylsulfanyl-4,5,7-trinitro-fluoren-9-ylidene)propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13N5O6S
InChI InChI=1S/C20H13N5O6S/c1-2-3-4-32-13-7-15-18(11(9-21)10-22)14-5-12(23(26)27)6-16(24(28)29)19(14)20(15)17(8-13)25(30)31/h5-8H,2-4H2,1H3
InChIKey WLKOBNPRHZLUCX-UHFFFAOYSA-N
Molecular Weight 451.413 g/mol
SMILES c12-c3c(N(=O)=O)cc(cc3C(c1cc(N(=O)=O)cc2N(=O)=O)=C(C#N)C#N)SCCCC
SPLASH splash10-0a4i-9001300000-554e8194b5cd2383477f
Source of Spectrum J-65-3061-5
Synonyms 2-[2-(butylthio)-4,5,7-trinitro-9-fluorenylidene]propanedinitrile 2-[2-(butylthio)-4,5,7-trinitro-fluoren-9-ylidene]malononitrile
Wiley ID 1532613