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3-Ethoxy-4-[(1'S,2'R)-(2'-hydroxy-1'methyl-2'-phenylethyl)methylamino]-3-cyclobutene-1,2-dione
SpectraBase Compound ID GjI2954a3tU
InChI InChI=1S/C16H19NO4/c1-4-21-16-12(14(19)15(16)20)17(3)10(2)13(18)11-8-6-5-7-9-11/h5-10,13,18H,4H2,1-3H3/t10-,13-/m0/s1
InChIKey FTGYWFHHRRPXAF-GWCFXTLKSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FobBxdli3kP
Name 3-Ethoxy-4-[methyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]cyclobut-3-ene-1,2-dione
CAS Registry Number 131589-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-4-21-16-12(14(19)15(16)20)17(3)10(2)13(18)11-8-6-5-7-9-11/h5-10,13,18H,4H2,1-3H3/t10-,13-/m0/s1
InChIKey FTGYWFHHRRPXAF-GWCFXTLKSA-N
Molecular Weight 289.331 g/mol
SMILES O[C@@]([C@@](N(C1=C(OCC)C(C1=O)=O)C)(C)[H])(c1ccccc1)[H]
SPLASH splash10-001i-3900000000-7b2b62e66850c1074fdd
Source of Spectrum K-124-1219-3
Synonyms 3-Ethoxy-4-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]cyclobut-3-ene-1,2-dione 3-Ethoxy-4-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]cyclobut-3-ene-1,2-dione 3-Ethoxy-4-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-amino]cyclobut-3-ene-1,2-quinone
Wiley ID 1292663