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(2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester
SpectraBase Compound ID 7gwgd2oHeeA
InChI InChI=1S/C20H21NO6/c1-13(22)16-10-15(8-9-18(16)23)11-17(19(24)26-2)21-20(25)27-12-14-6-4-3-5-7-14/h3-10,17,23H,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKey MMFVAAWJEMBBJF-KRWDZBQOSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvDg3KHVMUr
Name (2S)-3-(3-acetyl-4-hydroxy-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester
Alternate Name(s) (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester Methyl (2S)-3-(3-acetyl-4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Methyl (2S)-3-(3-ethanoyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate
CAS Registry Number 110774-03-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-13(22)16-10-15(8-9-18(16)23)11-17(19(24)26-2)21-20(25)27-12-14-6-4-3-5-7-14/h3-10,17,23H,11-12H2,1-2H3,(H,21,25)/t17-/m0/s1
InChIKey MMFVAAWJEMBBJF-KRWDZBQOSA-N
Molecular Weight 371.389 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](Cc1cc(c(cc1)O)C(=O)C)(C(=O)OC)[H]
SPLASH splash10-006w-5940000000-637dd8f923f3854843b7
Source of Spectrum J-52-5285-12
Wiley ID 1354953