SpectraBase Spectrum ID |
DaGoSB064lv |
Name |
Spiro[2,3-dihydroindol-3,5'-2'-oxazoline], 1-benzyl-2'-methylthio-2-oxo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.093248935 u |
Formula |
C18H16N2O2S |
InChI |
InChI=1S/C18H16N2O2S/c1-23-17-19-12-18(22-17)14-9-5-6-10-15(14)20(16(18)21)11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3 |
InChIKey |
RRTUDZPGXHRLGJ-UHFFFAOYSA-N |
Molecular Weight |
324.398 g/mol |
SMILES |
C1=CC=C2C(=C1)C1(CN=C(O1)SC)C(N2CC1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822188 |