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[6-(hydroxymethyl)-2-pyridyl]methyl (2S)-2-(p-tolylsulfonylamino)propanoate
SpectraBase Compound ID LxNo9iGWTFn
InChI InChI=1S/C17H20N2O5S/c1-12-6-8-16(9-7-12)25(22,23)19-13(2)17(21)24-11-15-5-3-4-14(10-20)18-15/h3-9,13,19-20H,10-11H2,1-2H3/t13-/m0/s1
InChIKey TVBDWZIQRIXCCS-ZDUSSCGKSA-N
Mol Weight 364.42 g/mol
Molecular Formula C17H20N2O5S
Exact Mass 364.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzstfsXb71J
Name [6-(hydroxymethyl)-2-pyridyl]methyl (2S)-2-(p-tolylsulfonylamino)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O5S
InChI InChI=1S/C17H20N2O5S/c1-12-6-8-16(9-7-12)25(22,23)19-13(2)17(21)24-11-15-5-3-4-14(10-20)18-15/h3-9,13,19-20H,10-11H2,1-2H3/t13-/m0/s1
InChIKey TVBDWZIQRIXCCS-ZDUSSCGKSA-N
Instrument Name VG-ZAB-HS
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19980831)12_16_1057
Molecular Weight 364.416 g/mol
SMILES OCc1cccc(COC([C@](C)(NS(c2ccc(cc2)C)(=O)=O)[H])=O)n1
SPLASH splash10-00dl-5900000000-672f5f3242f80cce5d10
Source of Spectrum RCM-12-1059-10
Wiley ID 1838863