| SpectraBase Spectrum ID |
AX45KdeRCB0 |
| Name |
8-hexahydro-1H-azepin-1-yl-3-methyl-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/C21H25N9O2S/c1-27-17-16(18(31)23-20(27)32)29(19(22-17)28-11-7-2-3-8-12-28)13-14-33-21-24-25-26-30(21)15-9-5-4-6-10-15/h4-6,9-10H,2-3,7-8,11-14H2,1H3,(H,23,31,32) |
| InChIKey |
AIXGXZFOJMKYOS-UHFFFAOYSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_7618 |
| 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: D31312; Labnumber: UZ01F011-2561; SBI_ID: SBI-007621 |
| Temperature |
318 °C |
![8-hexahydro-1H-azepin-1-yl-3-methyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/AX45KdeRCB0/structure.png?h=300&w=458 "8-hexahydro-1H-azepin-1-yl-3-methyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione")
