| SpectraBase Spectrum ID |
ELX69RJa7g0 |
| Name |
(2R,4R)-3-( 2'-Bromo-5',5'-difluoro-1'-oxohexyl)-4-(phenylmethyl)-2-oxazolidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.043812767 u |
| Formula |
C16H18BrF2NO3 |
| InChI |
InChI=1S/C16H18BrF2NO3/c1-16(18,19)8-7-13(17)14(21)20-12(10-23-15(20)22)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13-/m1/s1 |
| InChIKey |
HPECXUVHFDYBAB-CHWSQXEVSA-N |
| Molecular Weight |
390.225 g/mol |
| SMILES |
C1(N([C@@](CO1)(CC=1C=CC=CC1)[H])C(=O)[C@@](CCC(F)(F)C)(Br)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909978 |
