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(2R*,3R*)-2-(1'-Acetoxy-2'-propyn-1'-yl)-1-[(p-toluenesulfonyl)pyrrolidine
SpectraBase Compound ID KJdDcMjRzmG
InChI InChI=1S/C16H19NO4S/c1-4-16(21-13(3)18)15-6-5-11-17(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 QBNCFWVIPYSAJR-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 4YJ56rx1Zs6
Name (2R*,3R*)-2-(1'-Acetoxy-2'-propyn-1'-yl)-1-[(p-toluenesulfonyl)pyrrolidine
Alternate Name(s) 1-{(2R)-1-[(4-methylphenyl)sulfonyl]pyrrolidinyl}-2-propynyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4S
InChI InChI=1S/C16H19NO4S/c1-4-16(21-13(3)18)15-6-5-11-17(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 QBNCFWVIPYSAJR-HZPDHXFCSA-N
Molecular Weight 321.391 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)CCC1)([C@@](C#C)(OC(=O)C)[H])[H]
SPLASH splash10-00kf-6910000000-839d4a0bb0e9349be174
Source of Spectrum J-63-6285-16
Wiley ID 1320839