| SpectraBase Spectrum ID |
6DRZQs5FHdo |
| Name |
1,2,3-Trimethoxy-9-thioxo-acridine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.077264518 u |
| Formula |
C16H15NO3S |
| InChI |
InChI=1S/C16H15NO3S/c1-18-12-8-11-13(15(20-3)14(12)19-2)16(21)9-6-4-5-7-10(9)17-11/h4-8H,1-3H3,(H,17,21) |
| InChIKey |
CHBZSSLEACZBHQ-UHFFFAOYSA-N |
| SMILES |
C=1(C(=C(C=C2NC=3C=CC=CC3C(C12)=S)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820187 |
