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2-[2-(phenylthio)-1-pyrrolyl]ethaneselenoic acid Se-methyl ester
SpectraBase Compound ID 6NAwbDSAFmA
InChI InChI=1S/C13H13NOSSe/c1-17-13(15)10-14-9-5-8-12(14)16-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKey CRGMNPVNTDDFAR-UHFFFAOYSA-N
Mol Weight 310.28 g/mol
Molecular Formula C13H13NOSSe
Exact Mass 310.988307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZkh9wP7Jl6
Name 2-[2-(phenylthio)-1-pyrrolyl]ethaneselenoic acid Se-methyl ester
Alternate Name(s) 2-[2-(phenylthio)pyrrol-1-yl]ethaneselenoic acid Se-methyl ester Se-methyl 2-(2-phenylsulfanylpyrrol-1-yl)ethaneselenoate
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NOSSe
InChI InChI=1S/C13H13NOSSe/c1-17-13(15)10-14-9-5-8-12(14)16-11-6-3-2-4-7-11/h2-9H,10H2,1H3
InChIKey CRGMNPVNTDDFAR-UHFFFAOYSA-N
Molecular Weight 310.285 g/mol
SMILES c1([n](CC(=O)[Se]C)ccc1)Sc1ccccc1
SPLASH splash10-0006-9003000000-60739e24c24cd80866af
Source of Spectrum F2-41-3769-15
Wiley ID 1599823