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(S)-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-(4-methylphenyl)methanol
SpectraBase Compound ID Jjcl3AEHD5t
InChI InChI=1S/C19H23NO4S/c1-14-8-10-15(11-9-14)19(22)17-6-2-3-7-18(17)25(23,24)20-12-4-5-16(20)13-21/h2-3,6-11,16,19,21-22H,4-5,12-13H2,1H3/t16-,19-/m0/s1
InChIKey SQKYPHFRFLHRGC-LPHOPBHVSA-N
Mol Weight 361.46 g/mol
Molecular Formula C19H23NO4S
Exact Mass 361.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lV3iQQKy5M
Name (S)-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-(4-methylphenyl)methanol
Comments Less than 3 mono-isotopic peaks
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Formula C19H23NO4S
InChI InChI=1S/C19H23NO4S/c1-14-8-10-15(11-9-14)19(22)17-6-2-3-7-18(17)25(23,24)20-12-4-5-16(20)13-21/h2-3,6-11,16,19,21-22H,4-5,12-13H2,1H3/t16-,19-/m0/s1
InChIKey SQKYPHFRFLHRGC-LPHOPBHVSA-N
Molecular Weight 361.456 g/mol
SMILES OC[C@]1(N(S(c2c([C@](c3ccc(cc3)C)(O)[H])cccc2)(=O)=O)CCC1)[H]
SPLASH splash10-001i-0009000000-1e9360751020a4de4c41
Source of Spectrum E1-39-264-7
Synonyms (S)-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-(p-tolyl)methanol (S)-[2-[(2S)-2-methylolpyrrolidino]sulfonylphenyl]-(p-tolyl)methanol (S)-[2-[[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]phenyl]-(4-methylphenyl)methanol
Wiley ID 1518696