SpectraBase Spectrum ID |
HH3588l960G |
Name |
acetamide, 2-[[5-[4-(decyloxy)phenyl]-4-(2-propenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(2-phenoxyethyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
550.297762399 u |
Formula |
C31H42N4O3S |
InChI |
InChI=1S/C31H42N4O3S/c1-3-5-6-7-8-9-10-14-23-37-28-19-17-26(18-20-28)30-33-34-31(35(30)22-4-2)39-25-29(36)32-21-24-38-27-15-12-11-13-16-27/h4,11-13,15-20H,2-3,5-10,14,21-25H2,1H3,(H,32,36) |
InChIKey |
PLFCTSFRXWNNAT-UHFFFAOYSA-N |
Molecular Weight |
550.762 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_14071 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10300246; Lab Info: LP; Lab Number: LP-217747 |