SpectraBase Spectrum ID |
4gyngCRXcEh |
Name |
benzoic acid, 2-chloro-5-[5-[(Z)-(6,7,8,9-tetrahydro-1,5-dioxo-5H-benzo[4,5]thieno[3,2-e]thiazolo[3,2-a]pyrimidin-2(1H)-ylidene)methyl]-2- |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
510.011091634 u |
Formula |
C24H15ClN2O5S2 |
InChI |
InChI=1S/C24H15ClN2O5S2/c25-15-7-5-11(9-14(15)23(30)31)16-8-6-12(32-16)10-18-21(29)27-22-19(20(28)26-24(27)34-18)13-3-1-2-4-17(13)33-22/h5-10H,1-4H2,(H,30,31)/b18-10- |
InChIKey |
SYBZYLXEQQARFE-ZDLGFXPLSA-N |
Molecular Weight |
510.966 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_17590 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11240288; Lab Info: SAD; Lab Number: 23 |