| SpectraBase Spectrum ID |
GgY2RZlRVC6 |
| Name |
3,5-pyridinedicarbonitrile, 2-amino-6-[[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]thio]-4-(2-methylpropyl)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.020474594 u |
| Formula |
C22H17BrN4O3S |
| InChI |
InChI=1S/C22H17BrN4O3S/c1-11(2)5-14-16(8-24)20(26)27-21(17(14)9-25)31-10-18(28)15-7-12-6-13(23)3-4-19(12)30-22(15)29/h3-4,6-7,11H,5,10H2,1-2H3,(H2,26,27) |
| InChIKey |
BDOKYYVEUBFHKD-UHFFFAOYSA-N |
| Molecular Weight |
497.367 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9209 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253023; Lab Info: DVD; Lab Number: DVD-0000006 |
![3,5-pyridinedicarbonitrile, 2-amino-6-[[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]thio]-4-(2-methylpropyl)-](/api/spectrum/GgY2RZlRVC6/structure.png?h=300&w=458 "3,5-pyridinedicarbonitrile, 2-amino-6-[[2-(6-bromo-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]thio]-4-(2-methylpropyl)-")
