SpectraBase Spectrum ID |
G67s0VB6vTK |
Name |
2H-1,3-thiazine-6-carboxylic acid, 3-[2-[4-(aminosulfonyl)phenyl]ethyl]-3,4-dihydro-4-oxo-2-[[3- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
513.063997524 u |
Formula |
C21H18F3N3O5S2 |
InChI |
InChI=1S/C21H18F3N3O5S2/c1-32-19(29)17-12-18(28)27(10-9-13-5-7-16(8-6-13)34(25,30)31)20(33-17)26-15-4-2-3-14(11-15)21(22,23)24/h2-8,11-12H,9-10H2,1H3,(H2,25,30,31)/b26-20- |
InChIKey |
AUNCUGVXYDOIDG-QOMWVZHYSA-N |
Molecular Weight |
513.506 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_2096 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13236559; Lab Info: PE; Lab Number: PE-0403091 |