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2-(4-chlorophenyl)-3-(phenylselanyl)benzo[b]thiophene
SpectraBase Compound ID 6WqG1FTpibd
InChI InChI=1S/C20H13ClSSe/c21-15-12-10-14(11-13-15)19-20(23-16-6-2-1-3-7-16)17-8-4-5-9-18(17)22-19/h1-13H
InChIKey XPDCKGZAPGFVEI-UHFFFAOYSA-N
Mol Weight 399.81 g/mol
Molecular Formula C20H13ClSSe
Exact Mass 399.959171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RXxa0lEA9J
Name 2-(4-chlorophenyl)-3-(phenylselanyl)benzo[b]thiophene
Appearance Yellow oil
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Exact Mass 399.959171293 u
Formula C20H13ClSSe
InChI InChI=1S/C20H13ClSSe/c21-15-12-10-14(11-13-15)19-20(23-16-6-2-1-3-7-16)17-8-4-5-9-18(17)22-19/h1-13H
InChIKey XPDCKGZAPGFVEI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200775
Molecular Weight 399.809 g/mol
Quality 52
Reported Formula C20H13ClSSe
SMILES C1(=CC=C(C=C1)Cl)C1=C(C2=C(S1)C=CC=C2)[Se]C1=CC=CC=C1
SPLASH splash10-0fk9-0389300000-cdbe503dbf5a2129a3d7
Source of Spectrum K1-2022-SM9-6e (DOI: 10.1002/ejoc.202200775)
Wiley ID 1898901