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cis,trans-N-(p-toylsulfonyl)-2-(bromomethyl)-3-hydroxy-5-phenylpyrrolidine
SpectraBase Compound ID 6Mmhr5AwgMU
InChI InChI=1S/C18H20BrNO3S/c1-13-7-9-15(10-8-13)24(22,23)20-16(11-18(21)17(20)12-19)14-5-3-2-4-6-14/h2-10,16-18,21H,11-12H2,1H3
InChIKey FJUSPSUFIAMWSU-UHFFFAOYSA-N
Mol Weight 410.33 g/mol
Molecular Formula C18H20BrNO3S
Exact Mass 409.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xUR6NQCBk5
Name cis,trans-N-(p-toylsulfonyl)-2-(bromomethyl)-3-hydroxy-5-phenylpyrrolidine
CAS Registry Number 117754-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20BrNO3S
InChI InChI=1S/C18H20BrNO3S/c1-13-7-9-15(10-8-13)24(22,23)20-16(11-18(21)17(20)12-19)14-5-3-2-4-6-14/h2-10,16-18,21H,11-12H2,1H3
InChIKey FJUSPSUFIAMWSU-UHFFFAOYSA-N
Molecular Weight 410.326 g/mol
SMILES OC1C(N(S(c2ccc(cc2)C)(=O)=O)C(C1)c1ccccc1)CBr
SPLASH splash10-014i-0209000000-8663296747a2fc29ae7f
Source of Spectrum J-53-5498-3
Synonyms 2-(bromomethyl)-1-[(4-methylphenyl)sulfonyl]-5-phenyl-3-pyrrolidinol
Wiley ID 1373270