SpectraBase Spectrum ID |
1bfCOMcbawx |
Name |
2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-6-hydroxy-4(3H)-pyrimidinone |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
283.099062590 u |
Formula |
C12H17N3O3S |
InChI |
InChI=1S/C12H17N3O3S/c16-9-7-10(17)14-12(13-9)19-8-11(18)15-5-3-1-2-4-6-15/h7H,1-6,8H2,(H2,13,14,16,17) |
InChIKey |
QYINDDSKLRUHRY-UHFFFAOYSA-N |
Molecular Weight |
283.346 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_1412 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12269734 |