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(+/-)-(3S,4R)-3-Benzoyl-4-[(E)-prop-1-en-1-yl]-1-[(4-methylphenyl)sulfonyl]pyrrol-idine
SpectraBase Compound ID DWlHiu4tsRc
InChI InChI=1S/C21H23NO3S/c1-3-7-18-14-22(26(24,25)19-12-10-16(2)11-13-19)15-20(18)21(23)17-8-5-4-6-9-17/h3-13,18,20H,14-15H2,1-2H3/b7-3+/t18-,20+/m0/s1
InChIKey DFHNEPZNGAMANX-AAEQKJOGSA-N
Mol Weight 369.48 g/mol
Molecular Formula C21H23NO3S
Exact Mass 369.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIBHVCAn6oP
Name (+/-)-(3S,4R)-3-Benzoyl-4-[(E)-prop-1-en-1-yl]-1-[(4-methylphenyl)sulfonyl]pyrrol-idine
Alternate Name(s) Phenyl((3S,4R)-4-((E)-prop-1-en-1-yl)-1-tosylpyrrolidin-3-yl)methanone [(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-prop-1-enyl]-3-pyrrolidinyl]-phenylmethanone [(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-prop-1-enyl]pyrrolidin-3-yl]-phenylmethanone Phenyl-[(3S,4R)-4-[(E)-prop-1-enyl]-1-(p-tolylsulfonyl)pyrrolidin-3-yl]methanone [(3S,4R)-1-(4-methylphenyl)sulfonyl-4-[(E)-prop-1-enyl]pyrrolidin-3-yl]-phenyl-methanone
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Formula C21H23NO3S
InChI InChI=1S/C21H23NO3S/c1-3-7-18-14-22(26(24,25)19-12-10-16(2)11-13-19)15-20(18)21(23)17-8-5-4-6-9-17/h3-13,18,20H,14-15H2,1-2H3/b7-3+/t18-,20+/m0/s1
InChIKey DFHNEPZNGAMANX-AAEQKJOGSA-N
Literature Reference DOI 10.1021/jo101148e
Molecular Weight 369.479 g/mol
SMILES C1[C@@](C(=O)c2ccccc2)([C@@](\C=C\C)(CN1S(c1ccc(cc1)C)(=O)=O)[H])[H]
SPLASH splash10-0a4l-9730000000-5f9f43822f732c1b3c5f
Source of Spectrum J-75-6031/SM9-2i
Wiley ID 1751758