SpectraBase Spectrum ID |
IyseQ34vkss |
Name |
acetamide, 2-[[4-cyclohexyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[5,6,7,8-tetrahydro-5-oxo-7-(2-thienyl)-2-quinazolinyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
545.166765483 u |
Formula |
C27H27N7O2S2 |
InChI |
InChI=1S/C27H27N7O2S2/c35-22-13-18(23-9-5-11-37-23)12-21-20(22)15-29-26(30-21)31-24(36)16-38-27-33-32-25(17-6-4-10-28-14-17)34(27)19-7-2-1-3-8-19/h4-6,9-11,14-15,18-19H,1-3,7-8,12-13,16H2,(H,29,30,31,36) |
InChIKey |
VQUQCFRWHQDINN-UHFFFAOYSA-N |
Molecular Weight |
545.680 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_18363 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11262216; Lab Info: PRE; Lab Number: PRE-A000008 |