SpectraBase Spectrum ID |
FW64tA5mF90 |
Name |
Spiro[2,3-dihydroindol-3,5'-2'-oxazoline], 1-acetyl-2'-methylthio-2-oxo- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.056863425 u |
Formula |
C13H12N2O3S |
InChI |
InChI=1S/C13H12N2O3S/c1-8(16)15-10-6-4-3-5-9(10)13(11(15)17)7-14-12(18-13)19-2/h3-6H,7H2,1-2H3 |
InChIKey |
FMAOVWJNZALAMC-UHFFFAOYSA-N |
SMILES |
C1=CC=C2C(=C1)C1(CN=C(O1)SC)C(N2C(=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932511 |