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2-Pyrrolidineacetic acid, .alpha.,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-, methyl ester, (R*,S*)-(.+-.)-
SpectraBase Compound ID Eo4LGSpEaK3
InChI InChI=1S/C17H25NO4S/c1-12-6-8-14(9-7-12)23(20,21)18-11-17(3,4)10-15(18)13(2)16(19)22-5/h6-9,13,15H,10-11H2,1-5H3/t13-,15+/m0/s1
InChIKey JOEHLGAYQCCCJA-DZGCQCFKSA-N
Mol Weight 339.45 g/mol
Molecular Formula C17H25NO4S
Exact Mass 339.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SGuPUxkT32
Name 2-Pyrrolidineacetic acid, .alpha.,4,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-, methyl ester, (R*,S*)-(.+-.)-
CAS Registry Number 114445-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO4S
InChI InChI=1S/C17H25NO4S/c1-12-6-8-14(9-7-12)23(20,21)18-11-17(3,4)10-15(18)13(2)16(19)22-5/h6-9,13,15H,10-11H2,1-5H3/t13-,15+/m0/s1
InChIKey JOEHLGAYQCCCJA-DZGCQCFKSA-N
Molecular Weight 339.450 g/mol
SMILES [C@@]1(N(S(c2ccc(cc2)C)(=O)=O)CC(C1)(C)C)([C@@](C(=O)OC)(C)[H])[H]
SPLASH splash10-0udi-0390000000-f27d5428b62d25eec29f
Source of Spectrum C-110-4001-0
Synonyms Methyl (2S)-2-{(2R)-4,4-dimethyl-1-[(4-methylphenyl)sulfonyl]pyrrolidinyl}propanoate N-(tolylsulfonyl)-2(S)-[1'-(R)-(methoxycarbonyl)ethyl]-4,4-dimethylpyrrolidine
Wiley ID 1334422