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2-(2-Bromo-benzylsulfanyl)-4-oxo-3-aza-spiro[5.5]undec-1-ene-1,5-dicarbonitrile
SpectraBase Compound ID CrSYRi8Jf7z
InChI InChI=1S/C19H18BrN3OS/c20-16-7-3-2-6-13(16)12-25-18-15(11-22)19(8-4-1-5-9-19)14(10-21)17(24)23-18/h2-3,6-7,14H,1,4-5,8-9,12H2,(H,23,24)
InChIKey FIXRSRDLEOQXTD-UHFFFAOYSA-N
Mol Weight 416.34 g/mol
Molecular Formula C19H18BrN3OS
Exact Mass 415.035396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1Y75vFfzY1
Name 2-(2-Bromo-benzylsulfanyl)-4-oxo-3-aza-spiro[5.5]undec-1-ene-1,5-dicarbonitrile
Alternate Name(s) 10-[(2-bromophenyl)methylsulfanyl]-8-oxo-9-azaspiro[5.5]undec-10-ene-7,11-dicarbonitrile 4-[(2-bromophenyl)methylthio]-2-oxo-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile 4-[(2-bromophenyl)methylsulfanyl]-2-oxo-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile 4-[(2-bromophenyl)methylsulfanyl]-2-oxidanylidene-3-azaspiro[5.5]undec-4-ene-1,5-dicarbonitrile
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Formula C19H18BrN3OS
InChI InChI=1S/C19H18BrN3OS/c20-16-7-3-2-6-13(16)12-25-18-15(11-22)19(8-4-1-5-9-19)14(10-21)17(24)23-18/h2-3,6-7,14H,1,4-5,8-9,12H2,(H,23,24)
InChIKey FIXRSRDLEOQXTD-UHFFFAOYSA-N
Molecular Weight 416.337 g/mol
SMILES N1C(C(C2(C(=C1SCc1c(Br)cccc1)C#N)CCCCC2)C#N)=O
SPLASH splash10-01b9-4900000000-895a2985892dfe1de08c
Wiley ID 1447039