SpectraBase Spectrum ID |
2tCYOwfA9xg |
Name |
2,3,10,11-Tetramethoxy-13,13A-dihydro-8H-isoquino[2,3-C][1,3]benzothiazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
373.134779395 u |
Formula |
C20H23NO4S |
InChI |
InChI=1S/C20H23NO4S/c1-22-16-6-12-5-15-14-8-18(24-3)19(25-4)9-20(14)26-11-21(15)10-13(12)7-17(16)23-2/h6-9,15H,5,10-11H2,1-4H3 |
InChIKey |
OASSQWNBTSSGQB-UHFFFAOYSA-N |
Molecular Weight |
373.467 g/mol |
SMILES |
C12N(CSC3=CC(=C(C=C23)OC)OC)CC2=C(C1)C=C(C(=C2)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915146 |