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N-[(5-bromoindol-3-yl)glyoxyloyl]tyrosine, methyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

N-[(5-bromoindol-3-yl)glyoxyloyl]tyrosine, methyl ester
SpectraBase Compound ID K5wbsDzBSy9
InChI InChI=1S/C20H17BrN2O5/c1-28-20(27)17(8-11-2-5-13(24)6-3-11)23-19(26)18(25)15-10-22-16-7-4-12(21)9-14(15)16/h2-7,9-10,17,22,24H,8H2,1H3,(H,23,26)
InChIKey GKAUCYWYWVLVJA-UHFFFAOYSA-N
Mol Weight 445.27 g/mol
Molecular Formula C20H17BrN2O5
Exact Mass 444.032085 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GT2Qim17jqk
Name N-[(5-BROMOINDOL-3-YL)GLYOXYLOYL]TYROSINE, METHYL ESTER
Source of Sample A. Da Settimo, University of Pisa, Pisa, Italy
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17BrN2O5
InChI InChI=1S/C20H17BrN2O5/c1-28-20(27)17(8-11-2-5-13(24)6-3-11)23-19(26)18(25)15-10-22-16-7-4-12(21)9-14(15)16/h2-7,9-10,17,22,24H,8H2,1H3,(H,23,26)
InChIKey GKAUCYWYWVLVJA-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 224-226C
Molecular Weight 445.28
Solvent Polysol; Reference=TMS; Temperature 297K