| SpectraBase Spectrum ID |
B1MJHBndkKI |
| Name |
4-pyrimidinol, 6-amino-2-[[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.119144156 u |
| Formula |
C17H19F3N6O3S |
| InChI |
InChI=1S/C17H19F3N6O3S/c18-17(19,20)11-1-2-12(13(9-11)26(28)29)25-5-3-24(4-6-25)7-8-30-16-22-14(21)10-15(27)23-16/h1-2,9-10H,3-8H2,(H3,21,22,23,27) |
| InChIKey |
HAJNGRXCQISHFK-UHFFFAOYSA-N |
| Molecular Weight |
444.433 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2801 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9215761; Lab Info: LP; Lab Number: LP-2190135 |
| Temperature |
29.85 °C |
![4-pyrimidinol, 6-amino-2-[[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-](/api/spectrum/B1MJHBndkKI/structure.png?h=300&w=458 "4-pyrimidinol, 6-amino-2-[[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-")
