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 |