| SpectraBase Spectrum ID |
5sU39DvrLaQ |
| Name |
cycloocta[b]pyridine-3-carbonitrile, 2-amino-1,4,6,7,8,9,10,10a-octahydro-4,4-bis(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.135701059 u |
| Formula |
C21H18F9N3 |
| InChI |
InChI=1S/C21H18F9N3/c22-19(23,24)12-7-9-13(10-8-12)33-16-6-4-2-1-3-5-14(16)18(20(25,26)27,21(28,29)30)15(11-31)17(33)32/h5,7-10,16H,1-4,6,32H2/b14-5+ |
| InChIKey |
IIYWTPZKBXVOHR-LHHJGKSTSA-N |
| Molecular Weight |
483.382 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17644 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11221344; Lab Info: AU; Lab Number: AU-P000341 |
![2-Amino-4,4-bis-trifluoromethyl-1-(4-trifluoromethyl-phenyl)-1,4,6,7,8,9,10,10a-octahydro-cycloocta[b]pyridine-3-carbonitrile](/api/spectrum/5sU39DvrLaQ/structure.png?h=300&w=458 "2-Amino-4,4-bis-trifluoromethyl-1-(4-trifluoromethyl-phenyl)-1,4,6,7,8,9,10,10a-octahydro-cycloocta[b]pyridine-3-carbonitrile")
