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(2R,4R)-2(2-Bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
SpectraBase Compound ID 4xxWdwE6pt2
InChI InChI=1S/C16H16BrNO/c1-18-15(12-7-3-2-4-8-12)11-19-16(18)13-9-5-6-10-14(13)17/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1
InChIKey PFTUATXBGZKIFY-JKSUJKDBSA-N
Mol Weight 318.21 g/mol
Molecular Formula C16H16BrNO
Exact Mass 317.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KzQy8LuB2m8
Name (2R,4R)-2(2-Bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.041527138 u
Formula C16H16BrNO
InChI InChI=1S/C16H16BrNO/c1-18-15(12-7-3-2-4-8-12)11-19-16(18)13-9-5-6-10-14(13)17/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1
InChIKey PFTUATXBGZKIFY-JKSUJKDBSA-N
Molecular Weight 318.214 g/mol
SMILES [C@]1(OC[C@](N1C)(C=1C=CC=CC1)[H])(C=1C(=CC=CC1)Br)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83197