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trans-Methyl 2-hydroxy-3-(2,6-dichloro)phenyl-3'-(N-tosylamino)propanoate
SpectraBase Compound ID 5rc5WYrPLtr
InChI InChI=1S/C17H17Cl2NO5S/c1-10-6-8-11(9-7-10)26(23,24)20-15(16(21)17(22)25-2)14-12(18)4-3-5-13(14)19/h3-9,15-16,20-21H,1-2H3/t15-,16-/m1/s1
InChIKey URGHVMUCRILJJJ-HZPDHXFCSA-N
Mol Weight 418.29 g/mol
Molecular Formula C17H17Cl2NO5S
Exact Mass 417.020449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v1MberHQRL
Name trans-Methyl 2-hydroxy-3-(2,6-dichloro)phenyl-3'-(N-tosylamino)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17Cl2NO5S
InChI InChI=1S/C17H17Cl2NO5S/c1-10-6-8-11(9-7-10)26(23,24)20-15(16(21)17(22)25-2)14-12(18)4-3-5-13(14)19/h3-9,15-16,20-21H,1-2H3/t15-,16-/m1/s1
InChIKey URGHVMUCRILJJJ-HZPDHXFCSA-N
Molecular Weight 418.291 g/mol
SMILES N([C@@]([C@](C(=O)OC)(O)[H])(c1c(Cl)cccc1Cl)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052f-9504000000-0458f2a8b0d077b47932
Source of Spectrum KC-61-6551-4
Synonyms Methyl (2R,3R)-3-(2,6-dichlorophenyl)-2-hydroxy-3-{[(4-methylphenyl)sulfonyl]amino}propanoate
Wiley ID 1629688