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N-[2'-3'-HYDROXY-3'-(ORTHO-[PHENOCTYL]-PHENYL)-1'-OXOPROPYL]-4-ISOPROPYL-2-OXAZOLIDINONE
SpectraBase Compound ID 5qMg5a4T8fF
InChI InChI=1S/C29H38BrNO4/c1-21(2)25-20-35-29(34)31(25)28(33)26(30)27(32)24-19-13-12-18-23(24)17-11-6-4-3-5-8-14-22-15-9-7-10-16-22/h7,9-10,12-13,15-16,18-19,21,25-27,32H,3-6,8,11,14,17,20H2,1-2H3/t25-,26-,27-/m0/s1
InChIKey LMPPTXWLWHLSRQ-QKDODKLFSA-N
Mol Weight 544.5 g/mol
Molecular Formula C29H38BrNO4
Exact Mass 543.198422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2UMLLoYxeo
Name N-[2'-3'-HYDROXY-3'-(ORTHO-[PHENOCTYL]-PHENYL)-1'-OXOPROPYL]-4-ISOPROPYL-2-OXAZOLIDINONE
Compound Number 44
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38BrNO4
InChI InChI=1S/C29H38BrNO4/c1-21(2)25-20-35-29(34)31(25)28(33)26(30)27(32)24-19-13-12-18-23(24)17-11-6-4-3-5-8-14-22-15-9-7-10-16-22/h7,9-10,12-13,15-16,18-19,21,25-27,32H,3-6,8,11,14,17,20H2,1-2H3/t25-,26-,27-/m0/s1
InChIKey LMPPTXWLWHLSRQ-QKDODKLFSA-N
Literature Reference Author L.N.PRIDGEN,C.DEBROSSE
Literature Reference Citation J.ORG.CHEM.,62,216(1997)
Literature Reference DOI 10.1021/jo951798l
Molecular Weight 544.529 g/mol
Solvent CDCl3
Source File Reference UWCS23051