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(2S)-2-amino-5-[dideuterio-(4-phenylphenyl)methoxy]-5-oxo-pentanoic acid
SpectraBase Compound ID IHLftyvESnP
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/i12D2
InChIKey FDIODKYIIQIDRU-YCBZEXOJSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H17D2NO4
Exact Mass 315.143962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IehAoNoJqQN
Name (2S)-2-amino-5-[dideuterio-(4-phenylphenyl)methoxy]-5-oxo-pentanoic acid
Appearance Off white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.143961584 u
Formula C18H17D2NO4
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/i12D2
InChIKey FDIODKYIIQIDRU-YCBZEXOJSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202108814
Molecular Weight 315.365 g/mol
Quality 1000
SMILES N[C@](C(=O)O)(CCC(=O)OC(C1=CC=C(C=C1)C1=CC=CC=C1)([D])[D])[H]
SPLASH splash10-05nr-3900000000-10a976b4efec6f7f6798
Source of Spectrum ACI-60-SM53-13b (DOI: 10.1002/anie.202108814)
Wiley ID 1891327