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3-Pyrrolidinol, 2-(bromomethyl)-4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-, cis-
SpectraBase Compound ID HliYnKCjBe1
InChI InChI=1S/C14H20BrNO3S/c1-10-4-6-11(7-5-10)20(18,19)16-9-14(2,3)13(17)12(16)8-15/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13+/m1/s1
InChIKey KVXLGYFJTMYZCF-OLZOCXBDSA-N
Mol Weight 362.28 g/mol
Molecular Formula C14H20BrNO3S
Exact Mass 361.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Co95YGMGGrQ
Name 3-Pyrrolidinol, 2-(bromomethyl)-4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-, cis-
CAS Registry Number 117754-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20BrNO3S
InChI InChI=1S/C14H20BrNO3S/c1-10-4-6-11(7-5-10)20(18,19)16-9-14(2,3)13(17)12(16)8-15/h4-7,12-13,17H,8-9H2,1-3H3/t12-,13+/m1/s1
InChIKey KVXLGYFJTMYZCF-OLZOCXBDSA-N
Molecular Weight 362.282 g/mol
SMILES O[C@]1([C@](N(S(c2ccc(cc2)C)(=O)=O)CC1(C)C)(CBr)[H])[H]
SPLASH splash10-02t9-1290000000-30f25a2a07e9fa9463b1
Source of Spectrum J-53-5498-3
Synonyms (2S,3R)-2-(bromomethyl)-4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidinol cis-N-(p-toylsulfonyl)-2-(bromomethyl)-3-hydroxy-4,4-dimethylpyrrolidine
Wiley ID 1348820