| SpectraBase Spectrum ID |
2aiaca4GJxV |
| Name |
(Z)-3-(2-((3-ethylbenzo[d]thiazol-3-ium-2-yl)methylene)-6-methylbenzo[d]thiazol-3(2H)-yl)propane-1-sulfonate |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.079256095 u |
| Formula |
C21H22N2O3S3 |
| InChI |
InChI=1S/C21H22N2O3S3/c1-3-22-16-7-4-5-8-18(16)27-20(22)14-21-23(11-6-12-29(24,25)26)17-10-9-15(2)13-19(17)28-21/h4-5,7-10,13-14H,3,6,11-12H2,1-2H3 |
| InChIKey |
NTLXQLAWMGZMSE-UHFFFAOYSA-N |
| Molecular Weight |
446.598 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_7707 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13308518 |
![(Z)-3-(2-((3-ethylbenzo[d]thiazol-3-ium-2-yl)methylene)-6-methylbenzo[d]thiazol-3(2H)-yl)propane-1-sulfonate](/api/spectrum/2aiaca4GJxV/structure.png?h=300&w=458 "(Z)-3-(2-((3-ethylbenzo[d]thiazol-3-ium-2-yl)methylene)-6-methylbenzo[d]thiazol-3(2H)-yl)propane-1-sulfonate")
