| SpectraBase Spectrum ID |
8BZS2BaODVS |
| Name |
4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile |
| 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/C18H18ClN5O2S/c1-22-15-14(16(25)23(2)18(22)26)24(11-12-6-5-7-13(19)10-12)17(21-15)27-9-4-3-8-20/h5-7,10H,3-4,9,11H2,1-2H3 |
| InChIKey |
XSFLUXMFNOTKSM-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_ASIOH_7000_6114 |
| 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: NMR/11242340; Labnumber: SAD-0002989; IOH_ID: IOH-006115 |
![4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile](/api/spectrum/8BZS2BaODVS/structure.png?h=300&w=458 "4-{[7-(3-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}butanenitrile")
