SpectraBase Spectrum ID |
3QcyUhky7ss |
Name |
4-Benzyl-2,3-dihydrothieno[3,2-B]quinolin-9-one 1,1-dioxide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
325.077264518 u |
Formula |
C18H15NO3S |
InChI |
InChI=1S/C18H15NO3S/c20-17-14-8-4-5-9-15(14)19(12-13-6-2-1-3-7-13)16-10-11-23(21,22)18(16)17/h1-9H,10-12H2 |
InChIKey |
SSTIQQCUVPLKMF-UHFFFAOYSA-N |
Molecular Weight |
325.382 g/mol |
SMILES |
C12=C(N(CC=3C=CC=CC3)C3=C(C1=O)C=CC=C3)CCS2(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803686 |