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[(2R,3R)-1-Benzyl-3-dimethoxymethyl-4-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-methanol
SpectraBase Compound ID 8a3rrgX9nbq
InChI InChI=1S/C22H29NO5S/c1-16-9-11-18(12-10-16)29(25,26)20-14-23(13-17-7-5-4-6-8-17)19(15-24)21(20)22(27-2)28-3/h4-12,19-22,24H,13-15H2,1-3H3/t19-,20?,21-/m0/s1
InChIKey RVKZKIIEUNSFRM-YSTUSHMSSA-N
Mol Weight 419.54 g/mol
Molecular Formula C22H29NO5S
Exact Mass 419.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwgMBzKbHyd
Name [(2R,3R)-1-Benzyl-3-dimethoxymethyl-4-(toluene-4-sulfonyl)-pyrrolidin-2-yl]-methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO5S
InChI InChI=1S/C22H29NO5S/c1-16-9-11-18(12-10-16)29(25,26)20-14-23(13-17-7-5-4-6-8-17)19(15-24)21(20)22(27-2)28-3/h4-12,19-22,24H,13-15H2,1-3H3/t19-,20?,21-/m0/s1
InChIKey RVKZKIIEUNSFRM-YSTUSHMSSA-N
Molecular Weight 419.536 g/mol
SMILES OC[C@]1([C@@](C(S(c2ccc(cc2)C)(=O)=O)CN1Cc1ccccc1)(C(OC)OC)[H])[H]
SPLASH splash10-054o-9400000000-e09aabba58a40f2fc799
Source of Spectrum C5-2004-842-5
Synonyms 1-Benzyl-3-dimethoxymethyl-4-(4-methoxyphenylsulfonyl)prolinol {(2R,3R)-1-benzyl-3-(dimethoxymethyl)-4-[(4-methylphenyl)sulfonyl]pyrrolidinyl}methanol
Wiley ID 1616881