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2-(methylthio)-1-cyclopentenecarboselenoic acid Se-(4-methylphenyl) ester
SpectraBase Compound ID 9m3Q8TfnbTR
InChI InChI=1S/C14H16OSSe/c1-10-6-8-11(9-7-10)17-14(15)12-4-3-5-13(12)16-2/h6-9H,3-5H2,1-2H3
InChIKey UXYSNMJZMNKKBN-UHFFFAOYSA-N
Mol Weight 311.31 g/mol
Molecular Formula C14H16OSSe
Exact Mass 312.008708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vdsHJRkk71
Name 2-(methylthio)-1-cyclopentenecarboselenoic acid Se-(4-methylphenyl) ester
CAS Registry Number 69953-01-1
Comments Less than 3 mono-isotopic peaks
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Formula C14H16OSSe
InChI InChI=1S/C14H16OSSe/c1-10-6-8-11(9-7-10)17-14(15)12-4-3-5-13(12)16-2/h6-9H,3-5H2,1-2H3
InChIKey UXYSNMJZMNKKBN-UHFFFAOYSA-N
Molecular Weight 311.313 g/mol
SMILES C1(C([Se]c2ccc(cc2)C)=O)=C(SC)CCC1
SPLASH splash10-0006-0900000000-b0886396056e6518055c
Source of Spectrum Y-16-48-0
Synonyms 2-(methylthio)cyclopentene-1-carboselenoic acid Se-(p-tolyl) ester Se-(4-methylphenyl) 2-methylsulfanylcyclopentene-1-carboselenoate Se-(p-tolyl) 2-methylsulfanylcyclopentene-1-carboselenoate
Wiley ID 1312930