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(3R,4R)-4-HYDROXY-3-[N-(4-METHYLPHENYLSULFONYL)-AMINO]-1-PENTYNE
SpectraBase Compound ID LdDsd4QhsJT
InChI InChI=1S/C12H15NO3S/c1-4-12(10(3)14)13-17(15,16)11-7-5-9(2)6-8-11/h1,5-8,10,12-14H,2-3H3/t10-,12-/m1/s1
InChIKey YSVBUZQVFFQAOM-ZYHUDNBSSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTZ9edxH7wH
Name 4-methyl-N-[(3R,4R)-4-oxidanylpent-1-yn-3-yl]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-4-12(10(3)14)13-17(15,16)11-7-5-9(2)6-8-11/h1,5-8,10,12-14H,2-3H3/t10-,12-/m1/s1
InChIKey YSVBUZQVFFQAOM-ZYHUDNBSSA-N
Molecular Weight 253.316 g/mol
SMILES O[C@@]([C@@](C#C)(NS(=O)(=O)c1ccc(cc1)C)[H])(C)[H]
SPLASH splash10-0udi-9000000000-b32776041feb08ac4793
Source of Spectrum J-66-1873-12
Synonyms N-[(1R)-1-[(1R)-1-hydroxyethyl]prop-2-ynyl]-4-methyl-benzenesulfonamide N-[(3R,4R)-4-hydroxypent-1-yn-3-yl]-4-methylbenzenesulfonamide
Wiley ID 1534825