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(S)-5-(([1,1'-biphenyl]-4-yl-2',3',4',5',6'-d5)methoxy)-2-amino-5-oxopentanoic acid
SpectraBase Compound ID 4NKPyklzHiu
InChI InChI=1S/C18H19NO4/c19-16(18(21)22)10-11-17(20)23-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,19H2,(H,21,22)/t16-/m0/s1/i1D,2D,3D,4D,5D
InChIKey FDIODKYIIQIDRU-ORBCWAKCSA-N
Mol Weight 318.38 g/mol
Molecular Formula C18H14D5NO4
Exact Mass 318.162792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44eEdKbxTPp
Name (S)-5-(([1,1'-biphenyl]-4-yl-2',3',4',5',6'-d5)methoxy)-2-amino-5-oxopentanoic acid
Appearance Off white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.162791821 u
Formula C18H14D5NO4
InChI InChI=1S/C18H19NO4/c19-16(18(21)22)10-11-17(20)23-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,19H2,(H,21,22)/t16-/m0/s1/i1D,2D,3D,4D,5D
InChIKey FDIODKYIIQIDRU-ORBCWAKCSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202108814
Molecular Weight 318.384 g/mol
Quality 1000
SMILES OC([C@](CCC(OCC1=CC=C(C=C1)C1=C(C(=C(C(=C1[D])[D])[D])[D])[D])=O)(N)[H])=O
SPLASH splash10-01p9-2900000000-c43334fa04888c95c2c2
Source of Spectrum ACI-60-SM72-13c (DOI: 10.1002/anie.202108814)
Wiley ID 1891328