SpectraBase Spectrum ID |
FqlFFZDqpPK |
Name |
acetamide, 2-[[3-cyano-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-quinolinyl]thio]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
555.139882030 u |
Formula |
C29H25N5O3S2 |
InChI |
InChI=1S/C29H25N5O3S2/c1-29(2)13-21-25(22(35)14-29)24(17-9-11-19(37-3)12-10-17)20(15-30)27(31-21)38-16-23(36)32-28-33-26(39-34-28)18-7-5-4-6-8-18/h4-12H,13-14,16H2,1-3H3,(H,32,34,36) |
InChIKey |
MGPJKQMOFYTGAW-UHFFFAOYSA-N |
Molecular Weight |
555.671 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_1636 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13259992 |