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o-Acetyl-N-benzoyl-3,5-dibromo-L-tyrosine

View entire compound with spectra: 1 NMR

o-Acetyl-N-benzoyl-3,5-dibromo-L-tyrosine
SpectraBase Compound ID A8Bfj8Mm0hr
InChI InChI=1S/C18H15Br2NO5/c1-10(22)26-16-13(19)7-11(8-14(16)20)9-15(18(24)25)21-17(23)12-5-3-2-4-6-12/h2-8,15H,9H2,1H3,(H,21,23)(H,24,25)/t15-/m0/s1
InChIKey USBBANCFKAVMRM-HNNXBMFYSA-N
Mol Weight 485.13 g/mol
Molecular Formula C18H15Br2NO5
Exact Mass 482.931699 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wY7EdcgazV
Name o-Acetyl-N-benzoyl-3,5-dibromo-L-tyrosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.931698582 u
Formula C18H15Br2NO5
InChI InChI=1S/C18H15Br2NO5/c1-10(22)26-16-13(19)7-11(8-14(16)20)9-15(18(24)25)21-17(23)12-5-3-2-4-6-12/h2-8,15H,9H2,1H3,(H,21,23)(H,24,25)/t15-/m0/s1
InChIKey USBBANCFKAVMRM-HNNXBMFYSA-N
Molecular Weight 485.128 g/mol
SMILES C1=C(C=C(C(=C1Br)OC(C)=O)Br)C[C@@](C(O)=O)(NC(=O)C1=CC=CC=C1)[H]