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(2' R,4S)-N-[2-(9'-Xanthenyl)acetoacetyl]-4-benzyloxazolidin-22-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2' R,4S)-N-[2-(9'-Xanthenyl)acetoacetyl]-4-benzyloxazolidin-22-one
SpectraBase Compound ID IHhhjSvzPl2
InChI InChI=1S/C27H23NO5/c1-17(29)24(25-20-11-5-7-13-22(20)33-23-14-8-6-12-21(23)25)26(30)28-19(16-32-27(28)31)15-18-9-3-2-4-10-18/h2-14,19,24-25H,15-16H2,1H3/t19-,24-/m0/s1
InChIKey PCGCDAOCBGMBBA-CYFREDJKSA-N
Mol Weight 441.48 g/mol
Molecular Formula C27H23NO5
Exact Mass 441.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCSidqqTtWu
Name (2' R,4S)-N-[2-(9'-Xanthenyl)acetoacetyl]-4-benzyloxazolidin-22-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.157622840 u
Formula C27H23NO5
InChI InChI=1S/C27H23NO5/c1-17(29)24(25-20-11-5-7-13-22(20)33-23-14-8-6-12-21(23)25)26(30)28-19(16-32-27(28)31)15-18-9-3-2-4-10-18/h2-14,19,24-25H,15-16H2,1H3/t19-,24-/m0/s1
InChIKey PCGCDAOCBGMBBA-CYFREDJKSA-N
Molecular Weight 441.483 g/mol
SMILES C(N1C(OC[C@@]1(CC1=CC=CC=C1)[H])=O)([C@](C1C2=C(C=CC=C2)OC=2C1=CC=CC2)(C(=O)C)[H])=O