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threo Benzyl 5-(4,5-Diphenyl-2-oxo-4-oxazolin-3-yl)-[2-2H]-3-hydroxy-2-([3-2H2]-2-oxoazetidin-1-yl)pentanoate
SpectraBase Compound ID yXqb5HCcaL
InChI InChI=1S/C30H28N2O6/c33-24(27(31-19-17-25(31)34)29(35)37-20-21-10-4-1-5-11-21)16-18-32-26(22-12-6-2-7-13-22)28(38-30(32)36)23-14-8-3-9-15-23/h1-15,24,27,33H,16-20H2/i17D2,27D
InChIKey DYZREEOPBWAWRB-APIHMUFVSA-N
Mol Weight 515.58 g/mol
Molecular Formula C30H252D3N2O6
Exact Mass 515.213567 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuFDzPHInJH
Name threo Benzyl 5-(4,5-Diphenyl-2-oxo-4-oxazolin-3-yl)-[2-2H]-3-hydroxy-2-([3-2H2]-2-oxoazetidin-1-yl)pentanoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25D3N2O6
InChI InChI=1S/C30H28N2O6/c33-24(27(31-19-17-25(31)34)29(35)37-20-21-10-4-1-5-11-21)16-18-32-26(22-12-6-2-7-13-22)28(38-30(32)36)23-14-8-3-9-15-23/h1-15,24,27,33H,16-20H2/i17D2,27D
InChIKey DYZREEOPBWAWRB-APIHMUFVSA-N
Molecular Weight 515.580 g/mol
SMILES OC(C(N1C(C([2D])([2D])C1)=O)(C(OCc1ccccc1)=O)[2D])CCN1C(=C(OC1=O)c1ccccc1)c1ccccc1
SPLASH splash10-0006-9000030000-9170aacc47117c00611b
Source of Spectrum F-47-2601-0
Wiley ID 1400840