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3-[(S)-(4-methylphenyl)sulfinyl]-4H-pyridine-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID 9BLhmKqdHa
InChI InChI=1S/C17H21NO3S/c1-13-7-9-14(10-8-13)22(20)15-6-5-11-18(12-15)16(19)21-17(2,3)4/h5,7-12H,6H2,1-4H3
InChIKey GSTQYRKNBWPSLU-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C17H21NO3S
Exact Mass 319.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nuyJEOMrol
Name 3-[(S)-(4-methylphenyl)sulfinyl]-4H-pyridine-1-carboxylic acid tert-butyl ester
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Formula C17H21NO3S
InChI InChI=1S/C17H21NO3S/c1-13-7-9-14(10-8-13)22(20)15-6-5-11-18(12-15)16(19)21-17(2,3)4/h5,7-12H,6H2,1-4H3
InChIKey GSTQYRKNBWPSLU-UHFFFAOYSA-N
Molecular Weight 319.419 g/mol
SMILES C(N1C=C([S@](c2ccc(cc2)C)=O)CC=C1)(OC(C)(C)C)=O
SPLASH splash10-0002-0190000000-97e7510d132f10045efe
Source of Spectrum H1-44-541-1
Synonyms 3-[(S)-p-tolylsulfinyl]-4H-pyridine-1-carboxylic acid tert-butyl ester tert-Butyl 3-[(S)-(4-methylphenyl)sulfinyl]-4H-pyridine-1-carboxylate tert-Butyl 3-[(S)-p-tolylsulfinyl]-4H-pyridine-1-carboxylate
Wiley ID 758224