SpectraBase Spectrum ID |
H2htDJ5xkSl |
Name |
(E)-1-[(4S,5R)-4-Methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-phenyl-prop-2-en-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.097999963 u |
Formula |
C19H17NO2S |
InChI |
InChI=1S/C19H17NO2S/c1-14-18(16-10-6-3-7-11-16)22-19(23)20(14)17(21)13-12-15-8-4-2-5-9-15/h2-14,18H,1H3/b13-12+/t14-,18-/m0/s1 |
InChIKey |
ITSRFYCRBNXLFW-RMCBBKKWSA-N |
Molecular Weight |
323.410 g/mol |
SMILES |
C1(N([C@]([C@](O1)(C=1C=CC=CC1)[H])(C)[H])C(\C=C\C1=CC=CC=C1)=O)=S |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837476 |