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3-keto-3-[(2S)-1-tosylpyrrolidin-2-yl]-2-triphenylphosphoranylidene-propionic acid ethyl ester
SpectraBase Compound ID 9sh7vQNmhlJ
InChI InChI=1S/C34H34NO5PS/c1-3-40-34(37)33(32(36)31-20-13-25-35(31)42(38,39)30-23-21-26(2)22-24-30)41(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29/h4-12,14-19,21-24,31H,3,13,20,25H2,1-2H3/t31-/m0/s1
InChIKey BTXFACAJKABUCE-HKBQPEDESA-N
Mol Weight 599.7 g/mol
Molecular Formula C34H34NO5PS
Exact Mass 599.189531 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35MAiKPtWiw
Name 3-keto-3-[(2S)-1-tosylpyrrolidin-2-yl]-2-triphenylphosphoranylidene-propionic acid ethyl ester
Alternate Name(s) 3-[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-3-oxo-2-triphenylphosphoranylidenepropanoic acid ethyl ester Ethyl 3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Ethyl 3-oxo-3-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]-2-(triphenyl-$l^{5}-phosphanylidene)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34NO5PS
InChI InChI=1S/C34H34NO5PS/c1-3-40-34(37)33(32(36)31-20-13-25-35(31)42(38,39)30-23-21-26(2)22-24-30)41(27-14-7-4-8-15-27,28-16-9-5-10-17-28)29-18-11-6-12-19-29/h4-12,14-19,21-24,31H,3,13,20,25H2,1-2H3/t31-/m0/s1
InChIKey BTXFACAJKABUCE-HKBQPEDESA-N
Molecular Weight 599.682 g/mol
SMILES [C@]1(N(S(c2ccc(cc2)C)(=O)=O)CCC1)(C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCC)=O)[H]
SPLASH splash10-004i-3029000000-67ef1a29593baf283fbe
Source of Spectrum KC-0-480-16
Wiley ID 785202