| SpectraBase Spectrum ID |
H5nrcAZBzaU |
| Name |
(6E)-2-butyl-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-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 |
423.152909684 u |
| Formula |
C22H22FN5OS |
| InChI |
InChI=1S/C22H22FN5OS/c1-4-5-6-19-26-28-20(24)18(21(29)25-22(28)30-19)12-15-11-13(2)27(14(15)3)17-9-7-16(23)8-10-17/h7-12,24H,4-6H2,1-3H3/b18-12+,24-20? |
| InChIKey |
ONBXXLYKKFFHCE-ODJOWLHGSA-N |
| Molecular Weight |
423.510 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_10 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12259654 |
![(6E)-2-butyl-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one](/api/spectrum/H5nrcAZBzaU/structure.png?h=300&w=458 "(6E)-2-butyl-6-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one")
