| SpectraBase Spectrum ID |
AB1ekz2O6nt |
| Name |
(6Z)-6-{[5-(3-chloro-4-fluorophenyl)-2-furyl]methylene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.113602999 u |
| Formula |
C23H22ClFN4O2S |
| InChI |
InChI=1S/C23H22ClFN4O2S/c1-2-3-4-5-6-7-20-28-29-21(26)16(22(30)27-23(29)32-20)13-15-9-11-19(31-15)14-8-10-18(25)17(24)12-14/h8-13,26H,2-7H2,1H3/b16-13-,26-21? |
| InChIKey |
IAIQNDKHDZWCCY-HKCFQPBRSA-N |
| Molecular Weight |
472.966 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_1 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259643 |
![(6Z)-6-{[5-(3-chloro-4-fluorophenyl)-2-furyl]methylene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one](/api/spectrum/AB1ekz2O6nt/structure.png?h=300&w=458 "(6Z)-6-{[5-(3-chloro-4-fluorophenyl)-2-furyl]methylene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
