| SpectraBase Spectrum ID |
BWAcXnOFC1X |
| Name |
2-[(2S)-(2-Benzyl-3-oxo-3-[(4'S)-4'-(1-methylethyl)-2'-oxo-3-oxazolidinyl]propyl]1,3-dithiane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.143236078 u |
| Formula |
C20H27NO3S2 |
| InChI |
InChI=1S/C20H27NO3S2/c1-14(2)17-13-21(20(23)24-17)19(22)16(11-15-7-4-3-5-8-15)12-18-25-9-6-10-26-18/h3-5,7-8,14,16-18H,6,9-13H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey |
NZOZMTSAIFBJTJ-DLBZAZTESA-N |
| Molecular Weight |
393.560 g/mol |
| SMILES |
C1(N(C[C@@](O1)(C(C)C)[H])C([C@](CC1SCCCS1)(CC1=CC=CC=C1)[H])=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93367 |
![2-[(2S)-(2-Benzyl-3-oxo-3-[(4'S)-4'-(1-methylethyl)-2'-oxo-3-oxazolidinyl]propyl]1,3-dithiane](/api/spectrum/BWAcXnOFC1X/structure.png?h=300&w=458 "2-[(2S)-(2-Benzyl-3-oxo-3-[(4'S)-4'-(1-methylethyl)-2'-oxo-3-oxazolidinyl]propyl]1,3-dithiane")
