| SpectraBase Spectrum ID |
5EPD9HQTsrH |
| Name |
1H-purine-2,6-dione, 8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-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 |
425.206304365 u |
| Formula |
C22H27N5O4 |
| InChI |
InChI=1S/C22H27N5O4/c1-24-19-18(20(29)25(2)22(24)30)27(21(23-19)26-12-6-4-5-7-13-26)14-17(28)15-8-10-16(31-3)11-9-15/h8-11H,4-7,12-14H2,1-3H3 |
| InChIKey |
BCFNIXUPNOZTSK-UHFFFAOYSA-N |
| Molecular Weight |
425.489 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13699 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10301812; Lab Info: POV; Lab Number: POV-0800214 |
![1H-purine-2,6-dione, 8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-](/api/spectrum/5EPD9HQTsrH/structure.png?h=300&w=458 "1H-purine-2,6-dione, 8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-")
