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trans-N-Benzyl-2-[(ethoxycarbonyl)methyl]-4-methylene-3-tosylpyrrolidine
SpectraBase Compound ID 55W2xlPdnsC
InChI InChI=1S/C23H27NO4S/c1-4-28-22(25)14-21-23(29(26,27)20-12-10-17(2)11-13-20)18(3)15-24(21)16-19-8-6-5-7-9-19/h5-13,21,23H,3-4,14-16H2,1-2H3/t21-,23+/m1/s1
InChIKey PPSJGLFXDRUZKX-GGAORHGYSA-N
Mol Weight 413.53 g/mol
Molecular Formula C23H27NO4S
Exact Mass 413.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KD9j2Ku3NtK
Name trans-N-Benzyl-2-[(ethoxycarbonyl)methyl]-4-methylene-3-tosylpyrrolidine
Alternate Name(s) Ethyl {(2R,3S)-1-benzyl-4-methylene-3-[(4-methylphenyl)sulfonyl]pyrrolidinyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27NO4S
InChI InChI=1S/C23H27NO4S/c1-4-28-22(25)14-21-23(29(26,27)20-12-10-17(2)11-13-20)18(3)15-24(21)16-19-8-6-5-7-9-19/h5-13,21,23H,3-4,14-16H2,1-2H3/t21-,23+/m1/s1
InChIKey PPSJGLFXDRUZKX-GGAORHGYSA-N
Molecular Weight 413.532 g/mol
SMILES [C@]1(S(c2ccc(cc2)C)(=O)=O)([C@](N(Cc2ccccc2)CC1=C)(CC(=O)OCC)[H])[H]
SPLASH splash10-0006-9300000000-789a2d8366d96e8068e2
Source of Spectrum J-61-5010-13
Wiley ID 1375021