SpectraBase Spectrum ID |
J92tz9CtW7v |
Name |
ethanone, 2-[[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-1-(2-thienyl)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
407.076219145 u |
Formula |
C21H17N3O2S2 |
InChI |
InChI=1S/C21H17N3O2S2/c25-18(19-12-7-13-27-19)15-28-21-23-22-20(14-26-17-10-5-2-6-11-17)24(21)16-8-3-1-4-9-16/h1-13H,14-15H2 |
InChIKey |
ZXCYXXLVYHXFFB-UHFFFAOYSA-N |
Molecular Weight |
407.506 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_1619 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/8023201; Lab Info: LP; Lab Number: LP-0802115 |
Temperature |
29.85 °C |