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(2R*,3R*)-3-Acetoxy-2-ethynyl-1-(p-toluenesulfonyl)piperidine
SpectraBase Compound ID 95ezYUyF86E
InChI InChI=1S/C16H19NO4S/c1-4-15-16(21-13(3)18)6-5-11-17(15)22(19,20)14-9-7-12(2)8-10-14/h1,7-10,15-16H,5-6,11H2,2-3H3/t15-,16-/m1/s1
InChIKey JNAAAFDOVAOTJC-HZPDHXFCSA-N
Mol Weight 321.39 g/mol
Molecular Formula C16H19NO4S
Exact Mass 321.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vMFyzUNM2X
Name (2R*,3R*)-3-Acetoxy-2-ethynyl-1-(p-toluenesulfonyl)piperidine
Alternate Name(s) (2R,3R)-2-ethynyl-1-[(4-methylphenyl)sulfonyl]piperidinyl acetate Acetic acid [(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-3-piperidinyl] ester [(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonylpiperidin-3-yl] acetate [(2R,3R)-2-ethynyl-1-(p-tolylsulfonyl)-3-piperidyl] acetate [(2R,3R)-2-ethynyl-1-(4-methylphenyl)sulfonyl-piperidin-3-yl] ethanoate
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Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-4-15-16(21-13(3)18)6-5-11-17(15)22(19,20)14-9-7-12(2)8-10-14/h1,7-10,15-16H,5-6,11H2,2-3H3/t15-,16-/m1/s1
InChIKey JNAAAFDOVAOTJC-HZPDHXFCSA-N
Molecular Weight 321.391 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)CCC[C@]1(OC(=O)C)[H])(C#C)[H]
SPLASH splash10-0596-9560000000-354e050b0d36e4b15ef1
Source of Spectrum J-63-6285-17
Wiley ID 1320838