| SpectraBase Spectrum ID |
4DbQkF65s0P |
| Name |
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-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/C22H26N6O3S/c1-25-18-17(19(29)26(2)22(25)30)28(20(24-18)27-11-7-3-4-8-12-27)13-14-32-21-23-15-9-5-6-10-16(15)31-21/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3 |
| InChIKey |
VPYXFBKVULDVRU-UHFFFAOYSA-N |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_SBI_36227_7607 |
| 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: D31300; Labnumber: UZ01F011-2545; SBI_ID: SBI-007610 |
| Temperature |
318 °C |
![7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione](/api/spectrum/4DbQkF65s0P/structure.png?h=300&w=458 "7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-hexahydro-1H-azepin-1-yl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione")
