SpectraBase Spectrum ID |
91hR1XQX3PU |
Name |
benzoic acid, 2-[5-[(E)-[[[(1-phenyl-1H-tetrazol-5-yl)thio]acetyl]hydrazono]methyl]-2-furanyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
448.095374189 u |
Formula |
C21H16N6O4S |
InChI |
InChI=1S/C21H16N6O4S/c28-19(13-32-21-24-25-26-27(21)14-6-2-1-3-7-14)23-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)20(29)30/h1-12H,13H2,(H,23,28)(H,29,30)/b22-12+ |
InChIKey |
NOEJXYIQBFBWOS-WSDLNYQXSA-N |
Molecular Weight |
448.457 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_1059 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/8030011; Lab Info: SAD; Lab Number: SAD-9830122 |
Temperature |
29.85 °C |