| SpectraBase Spectrum ID |
3rcoxQvFAA8 |
| Name |
1H-purine-7-ethanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, chloride |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.199300868 u |
| Formula |
C17H28ClN7O2 |
| InChI |
InChI=1S/C17H27N7O2.ClH/c1-20(2)12-18-8-11-24-13-14(21(3)17(26)22(4)15(13)25)19-16(24)23-9-6-5-7-10-23;/h12H,5-11H2,1-4H3;1H/b18-12+; |
| InChIKey |
BCYHRCAJBNVYLV-XMMWENQYSA-N |
| Molecular Weight |
397.911 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12236 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10260894; Lab Info: BEV; Lab Number: BEV-0000091 |
![1H-purine-7-ethanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, chloride](/api/spectrum/3rcoxQvFAA8/structure.png?h=300&w=458 "1H-purine-7-ethanaminium, N-[(E)-(dimethylamino)methylidene]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-8-(1-piperidinyl)-, chloride")
