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(+/-)-(3R,4S)-3-Ethenyl-4-(4-carbethoxyphenyl-1-yl)carbonyl]-1-[(4-methylphen-yl)sulfonyl]pyrrolidine
SpectraBase Compound ID 5iqpwlDVyUi
InChI InChI=1S/C23H25NO5S/c1-4-17-14-24(30(27,28)20-12-6-16(3)7-13-20)15-21(17)22(25)18-8-10-19(11-9-18)23(26)29-5-2/h4,6-13,17,21H,1,5,14-15H2,2-3H3/t17-,21+/m1/s1
InChIKey OJDFEMGHHAAXJJ-UTKZUKDTSA-N
Mol Weight 427.52 g/mol
Molecular Formula C23H25NO5S
Exact Mass 427.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7sTFNxIzKy
Name (+/-)-(3R,4S)-3-Ethenyl-4-(4-carbethoxyphenyl-1-yl)carbonyl]-1-[(4-methylphen-yl)sulfonyl]pyrrolidine
Alternate Name(s) Ethyl 4-((3R,4S)-1-tosyl-4-vinylpyrrolidine-3-carbonyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO5S
InChI InChI=1S/C23H25NO5S/c1-4-17-14-24(30(27,28)20-12-6-16(3)7-13-20)15-21(17)22(25)18-8-10-19(11-9-18)23(26)29-5-2/h4,6-13,17,21H,1,5,14-15H2,2-3H3/t17-,21+/m1/s1
InChIKey OJDFEMGHHAAXJJ-UTKZUKDTSA-N
Literature Reference DOI 10.1021/jo101148e
Molecular Weight 427.515 g/mol
SMILES C1[C@@]([C@](C=C)(CN1S(c1ccc(cc1)C)(=O)=O)[H])(C(=O)c1ccc(cc1)C(=O)OCC)[H]
SPLASH splash10-0bt9-7980000000-b502195711339840a4a1
Source of Spectrum J-75-6031/SM9-2h
Wiley ID 1751757