SpectraBase Spectrum ID |
E9On7ziEyFt |
Name |
acetamide, 2-[[5,7-bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]-N-(4-ethoxy-2-nitrophenyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
461.159371427 u |
Formula |
C18H23N9O4S |
InChI |
InChI=1S/C18H23N9O4S/c1-4-19-15-22-16(20-5-2)26-17(23-15)24-25-18(26)32-10-14(28)21-12-8-7-11(31-6-3)9-13(12)27(29)30/h7-9H,4-6,10H2,1-3H3,(H,21,28)(H2,19,20,22,23,24) |
InChIKey |
FDWPJFXKEJZDPT-UHFFFAOYSA-N |
Molecular Weight |
461.501 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_6146 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11221585; Lab Info: DEM; Lab Number: 0527 |