| SpectraBase Spectrum ID |
LPy1Gz6uwA0 |
| Name |
3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile |
| 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/C17H16ClN5O2S/c1-21-14-13(15(24)22(2)17(21)25)23(16(20-14)26-9-5-8-19)10-11-6-3-4-7-12(11)18/h3-4,6-7H,5,9-10H2,1-2H3 |
| InChIKey |
CIYTXQHHKSVQMW-UHFFFAOYSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_ASIOH_7000_6070 |
| 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/11242279; Labnumber: SAD-0002922; IOH_ID: IOH-006071 |
![3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile](/api/spectrum/LPy1Gz6uwA0/structure.png?h=300&w=458 "3-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanenitrile")
