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(4R,5R)-3-(tert-butylsulfanylmethyl)-4-ethyl-5-phenyl-oxazolidin-2-one

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

(4R,5R)-3-(tert-butylsulfanylmethyl)-4-ethyl-5-phenyl-oxazolidin-2-one
SpectraBase Compound ID 3gfituvoPgp
InChI InChI=1S/C16H23NO2S/c1-5-13-14(12-9-7-6-8-10-12)19-15(18)17(13)11-20-16(2,3)4/h6-10,13-14H,5,11H2,1-4H3/t13-,14-/m1/s1
InChIKey XRYPGFLBEOKFSQ-ZIAGYGMSSA-N
Mol Weight 293.43 g/mol
Molecular Formula C16H23NO2S
Exact Mass 293.14495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7HTfr0niRP2
Name (4R,5R)-3-(Tert-butylsulfanylmethyl)-4-ethyl-5-phenyl-oxazolidin-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.144950157 u
Formula C16H23NO2S
InChI InChI=1S/C16H23NO2S/c1-5-13-14(12-9-7-6-8-10-12)19-15(18)17(13)11-20-16(2,3)4/h6-10,13-14H,5,11H2,1-4H3/t13-,14-/m1/s1
InChIKey XRYPGFLBEOKFSQ-ZIAGYGMSSA-N
SMILES C1(N([C@@]([C@](O1)(C=1C=CC=CC1)[H])(CC)[H])CSC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850585