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N-(2-[(4-Methylphenyl)sulfanyl]ethyl)alanine
SpectraBase Compound ID 82imzN0xKuR
InChI InChI=1S/C12H17NO2S/c1-9-3-5-11(6-4-9)16-8-7-13-10(2)12(14)15/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)
InChIKey CCAXVRKRRIHBQA-UHFFFAOYSA-N
Mol Weight 239.33 g/mol
Molecular Formula C12H17NO2S
Exact Mass 239.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwbHyQ4MScb
Name N-(2-[(4-Methylphenyl)sulfanyl]ethyl)alanine
CAS Registry Number 64276-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2S
InChI InChI=1S/C12H17NO2S/c1-9-3-5-11(6-4-9)16-8-7-13-10(2)12(14)15/h3-6,10,13H,7-8H2,1-2H3,(H,14,15)
InChIKey CCAXVRKRRIHBQA-UHFFFAOYSA-N
Molecular Weight 239.333 g/mol
SMILES N(CCSc1ccc(C)cc1)C(C(O)=O)C
SPLASH splash10-0pic-9700000000-94a890c0735643a0304f
Source of Spectrum W5-1989-35596-29940
Synonyms 2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid 2-[2-(p-tolylsulfanyl)ethylamino]propanoic acid 2-[2-(p-tolylthio)ethylamino]propionic acid 2-[2-[(4-methylphenyl)thio]ethylamino]propanoic acid N-[2-(4-Methylphenylthio)ethyl]alanine
Wiley ID 1241811