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4-[2-nitro-1-(4-phenylbutylsulfanyl)ethenyl]sulfanylbutylbenzene
SpectraBase Compound ID CzuCSw8kR20
InChI InChI=1S/C22H27NO2S2/c24-23(25)19-22(26-17-9-7-15-20-11-3-1-4-12-20)27-18-10-8-16-21-13-5-2-6-14-21/h1-6,11-14,19H,7-10,15-18H2
InChIKey DGIJALHPQUPDNJ-UHFFFAOYSA-N
Mol Weight 401.58 g/mol
Molecular Formula C22H27NO2S2
Exact Mass 401.148321 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hc1SUpjnk1n
Name 4-[2-nitro-1-(4-phenylbutylsulfanyl)ethenyl]sulfanylbutylbenzene
Alternate Name(s) 4-[[2-nitro-1-(4-phenylbutylthio)ethenyl]thio]butylbenzene 4-[[2-nitro-1-(4-phenylbutylthio)vinyl]thio]butylbenzene
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Formula C22H27NO2S2
InChI InChI=1S/C22H27NO2S2/c24-23(25)19-22(26-17-9-7-15-20-11-3-1-4-12-20)27-18-10-8-16-21-13-5-2-6-14-21/h1-6,11-14,19H,7-10,15-18H2
InChIKey DGIJALHPQUPDNJ-UHFFFAOYSA-N
Molecular Weight 401.583 g/mol
SMILES C(N(=O)=O)=C(SCCCCc1ccccc1)SCCCCc1ccccc1
SPLASH splash10-0006-9300000000-1f8dda5d9a3862be6b05
Source of Spectrum K1-2001-1528-6
Wiley ID 814480