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cis-Methyl 2-hydroxy-3-(p-fluoro)phenyl-3'-(N-tosylamino)propanoate
SpectraBase Compound ID KZiCvk1HPIz
InChI InChI=1S/C17H18FNO5S/c1-11-3-9-14(10-4-11)25(22,23)19-15(16(20)17(21)24-2)12-5-7-13(18)8-6-12/h3-10,15-16,19-20H,1-2H3/t15-,16+/m1/s1
InChIKey LZFLAVVJUFYCHW-CVEARBPZSA-N
Mol Weight 367.39 g/mol
Molecular Formula C17H18FNO5S
Exact Mass 367.088972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5avRab6w22N
Name cis-Methyl 2-hydroxy-3-(p-fluoro)phenyl-3'-(N-tosylamino)propanoate
Alternate Name(s) Methyl (2S,3R)-3-(4-fluorophenyl)-2-hydroxy-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18FNO5S
InChI InChI=1S/C17H18FNO5S/c1-11-3-9-14(10-4-11)25(22,23)19-15(16(20)17(21)24-2)12-5-7-13(18)8-6-12/h3-10,15-16,19-20H,1-2H3/t15-,16+/m1/s1
InChIKey LZFLAVVJUFYCHW-CVEARBPZSA-N
Molecular Weight 367.391 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@@]([C@@](C(=O)OC)(O)[H])(c1ccc(cc1)F)[H]
SPLASH splash10-054o-9560000000-c1a496ae790a755f677a
Source of Spectrum KC-61-6552-5
Wiley ID 1629685