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(4R,5S)-3-(2-bromanylethanoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one

View entire compound with spectra: 1 FTIR, and 3 MS (GC)

(4R,5S)-3-(2-bromanylethanoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SpectraBase Compound ID 11Lwy0gZ82f
InChI InChI=1S/C12H12BrNO3/c1-8-11(9-5-3-2-4-6-9)17-12(16)14(8)10(15)7-13/h2-6,8,11H,7H2,1H3/t8-,11-/m1/s1
InChIKey PQQFQURPXMYVCA-LDYMZIIASA-N
Mol Weight 298.14 g/mol
Molecular Formula C12H12BrNO3
Exact Mass 297.000056 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6pkhGOhdh7c
Name (4R,5S)-3-(2-Bromanylethanoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 297.000056247 u
Formula C12H12BrNO3
InChI InChI=1S/C12H12BrNO3/c1-8-11(9-5-3-2-4-6-9)17-12(16)14(8)10(15)7-13/h2-6,8,11H,7H2,1H3/t8-,11-/m1/s1
InChIKey PQQFQURPXMYVCA-LDYMZIIASA-N
SMILES [C]1(=[N]([C@@]([C@@](O1)(C=1C=CC=CC1)[H])(C)[H])C(=O)CBr)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902609