SpectraBase Spectrum ID |
HaTBENGnZbk |
Name |
N-{3-[(dimethylamino)sulfonyl]phenyl}-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
447.049352946 u |
Formula |
C18H17N5O3S3 |
InChI |
InChI=1S/C18H17N5O3S3/c1-22(2)29(25,26)13-7-5-6-12(10-13)19-16(24)11-27-17-20-21-18-23(17)14-8-3-4-9-15(14)28-18/h3-10H,11H2,1-2H3,(H,19,24) |
InChIKey |
PSKCNGBEPMUTMF-UHFFFAOYSA-N |
Molecular Weight |
447.546 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_5639 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12318881 |
Temperature |
29.85 °C |