| SpectraBase Spectrum ID |
A6OXunPMZED |
| Name |
8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C22H27N9O2S/c1-27-18-17(19(32)28(2)22(27)33)30(20(23-18)29-12-8-3-4-9-13-29)14-15-34-21-24-25-26-31(21)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3 |
| InChIKey |
SCHOUZXECCBBPI-UHFFFAOYSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_22060 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: D58211; Labnumber: UZ01F011-4256; SBI_ID: SBI-022064 |
| Temperature |
318 °C |
![8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/A6OXunPMZED/structure.png?h=300&w=458 "8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione")
