| SpectraBase Spectrum ID |
IYwiEXsteiX |
| Name |
1-{[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}-4-methylpiperazine |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
452.117151686 u |
| Formula |
C18H25BrN6O3 |
| InChI |
InChI=1S/C18H25BrN6O3/c1-22-2-4-23(5-3-22)14(26)17-7-12-6-13(8-17)10-18(9-12,11-17)24-15(19)20-16(21-24)25(27)28/h12-13H,2-11H2,1H3/t12-,13+,17+,18- |
| InChIKey |
RGULVGMGLOCRSC-VUWOVVPOSA-N |
| Molecular Weight |
453.341 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_3565 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12289768 |
![1-{[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}-4-methylpiperazine](/api/spectrum/IYwiEXsteiX/structure.png?h=300&w=458 "1-{[3-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}-4-methylpiperazine")
