| SpectraBase Spectrum ID |
Em6XJXHC4I9 |
| Name |
1H-Pyrido[2,1-B]benzothiazol-1-one, 3,4-dibenzoyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.077264518 u |
| Formula |
C25H15NO3S |
| InChI |
InChI=1S/C25H15NO3S/c27-21-15-18(23(28)16-9-3-1-4-10-16)22(24(29)17-11-5-2-6-12-17)25-26(21)19-13-7-8-14-20(19)30-25/h1-15H |
| InChIKey |
GSMYFSIAFICBLE-UHFFFAOYSA-N |
| Molecular Weight |
409.459 g/mol |
| SMILES |
C12=C(C(C(=O)C=3C=CC=CC3)=CC(N1C1=CC=CC=C1S2)=O)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950079 |
![1H-Pyrido[2,1-b]benzothiazol-1-one, 3,4-dibenzoyl-](/api/spectrum/Em6XJXHC4I9/structure.png?h=300&w=458 "1H-Pyrido[2,1-b]benzothiazol-1-one, 3,4-dibenzoyl-")
