| SpectraBase Spectrum ID |
8J1UEPB5Wf5 |
| Name |
(4R,5S)-3-[1-oxo-3-(1,3-Dithian-2-ylidene)propyl]-4-methyl-5-phenyl-2-oxazolidenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.080635821 u |
| Formula |
C17H19NO3S2 |
| InChI |
InChI=1S/C17H19NO3S2/c1-12-16(13-6-3-2-4-7-13)21-17(20)18(12)14(19)8-9-15-22-10-5-11-23-15/h2-4,6-7,9,12,16H,5,8,10-11H2,1H3/t12-,16-/m1/s1 |
| InChIKey |
QEUGQCXYCXHLCT-MLGOLLRUSA-N |
| Molecular Weight |
349.463 g/mol |
| SMILES |
C1(N([C@@]([C@@](O1)(C=1C=CC=CC1)[H])(C)[H])C(CC=C1SCCCS1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982245 |
![(4R,5S)-3-[1-Oxo-3-(1,3-dithian-2-ylidene)propyl]-4-methyl-5-phenyl-2-oxazolidenone](/api/spectrum/8J1UEPB5Wf5/structure.png?h=300&w=458 "(4R,5S)-3-[1-Oxo-3-(1,3-dithian-2-ylidene)propyl]-4-methyl-5-phenyl-2-oxazolidenone")
