| SpectraBase Spectrum ID |
Gb0X2NvH16T |
| Name |
(4R,5S)-4-Butyl-3-(tert-butylsulfanylmethyl)-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 |
321.176250285 u |
| Formula |
C18H27NO2S |
| InChI |
InChI=1S/C18H27NO2S/c1-5-6-12-15-16(14-10-8-7-9-11-14)21-17(20)19(15)13-22-18(2,3)4/h7-11,15-16H,5-6,12-13H2,1-4H3/t15-,16+/m1/s1 |
| InChIKey |
CBHZHJJSVWWADW-CVEARBPZSA-N |
| Molecular Weight |
321.479 g/mol |
| SMILES |
C1(N([C@@]([C@@](O1)(C=1C=CC=CC1)[H])(CCCC)[H])CSC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850182 |
