| SpectraBase Spectrum ID |
19WXWYc1zZH |
| Name |
2-(1,3-Dithian-2-yl)-3-(.alpha,-hydroxybenzyl)-1-methylquinolin-4(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.101371266 u |
| Formula |
C21H21NO2S2 |
| InChI |
InChI=1S/C21H21NO2S2/c1-22-16-11-6-5-10-15(16)20(24)17(18(22)21-25-12-7-13-26-21)19(23)14-8-3-2-4-9-14/h2-6,8-11,19,21,23H,7,12-13H2,1H3 |
| InChIKey |
GBAKFBWGZIQHTN-UHFFFAOYSA-N |
| Molecular Weight |
383.524 g/mol |
| SMILES |
C1(=C(N(C)C2=C(C1=O)C=CC=C2)C1SCCCS1)C(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964915 |
