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2-(Phenylmethylsulfanyl)selanylbenzoic acid
SpectraBase Compound ID EIGDU3sq0mc
InChI InChI=1S/C14H12O2SSe/c15-14(16)12-8-4-5-9-13(12)18-17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey NVIMTGQEHOHEND-UHFFFAOYSA-N
Mol Weight 323.28 g/mol
Molecular Formula C14H12O2SSe
Exact Mass 323.972323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Cs049RcNJ5
Name 2-(Phenylmethylsulfanyl)selanylbenzoic acid
Alternate Name(s) 2-[(benzylthio)seleno]benzoic acid 2-[(phenylmethylthio)seleno]benzoic acid
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Formula C14H12O2SSe
InChI InChI=1S/C14H12O2SSe/c15-14(16)12-8-4-5-9-13(12)18-17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey NVIMTGQEHOHEND-UHFFFAOYSA-N
Molecular Weight 323.280 g/mol
SMILES OC(c1c([Se]SCc2ccccc2)cccc1)=O
SPLASH splash10-0006-9000000000-9415ee6bc16765b2cd36
Source of Spectrum F-70-9236-32
Wiley ID 1597782