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3,3-bis(Benzylthio)-2-(phenylsulfinyl)acrylonitrile
SpectraBase Compound ID 7jh1IwOM69e
InChI InChI=1S/C23H19NOS3/c24-16-22(28(25)21-14-8-3-9-15-21)23(26-17-19-10-4-1-5-11-19)27-18-20-12-6-2-7-13-20/h1-15H,17-18H2
InChIKey RTDPNPKCBZVTGU-UHFFFAOYSA-N
Mol Weight 421.59 g/mol
Molecular Formula C23H19NOS3
Exact Mass 421.062878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D49SQUizPmz
Name 3,3-bis(Benzylthio)-2-(phenylsulfinyl)acrylonitrile
Alternate Name(s) 3,3-bis(benzylsulfanyl)-2-(phenylsulfinyl)acrylonitrile
CAS Registry Number 139427-24-0
Comments Less than 3 mono-isotopic peaks
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Formula C23H19NOS3
InChI InChI=1S/C23H19NOS3/c24-16-22(28(25)21-14-8-3-9-15-21)23(26-17-19-10-4-1-5-11-19)27-18-20-12-6-2-7-13-20/h1-15H,17-18H2
InChIKey RTDPNPKCBZVTGU-UHFFFAOYSA-N
Molecular Weight 421.591 g/mol
SMILES C(C(=C(SCc1ccccc1)SCc1ccccc1)S(=O)c1ccccc1)#N
SPLASH splash10-004i-0900100000-e7635e5769a6d7013628
Source of Spectrum U-1992-396-3
Wiley ID 764196