| SpectraBase Spectrum ID |
4Gv4ns5FFGS |
| Name |
1H-purine-2,6-dione, 8-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.122630988 u |
| Formula |
C27H27BrN6O5 |
| InChI |
InChI=1S/C27H27BrN6O5/c1-30-24-23(25(36)31(2)27(30)37)34(15-20(35)18-4-6-19(28)7-5-18)26(29-24)33-11-9-32(10-12-33)14-17-3-8-21-22(13-17)39-16-38-21/h3-8,13H,9-12,14-16H2,1-2H3 |
| InChIKey |
XNCRJDJXKFXHNE-UHFFFAOYSA-N |
| Molecular Weight |
595.454 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13046 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10270451; Lab Info: POV; Lab Number: POV-0800194 |
![1H-purine-2,6-dione, 8-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-](/api/spectrum/4Gv4ns5FFGS/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-[2-(4-bromophenyl)-2-oxoethyl]-3,7-dihydro-1,3-dimethyl-")
