SpectraBase Spectrum ID |
5KWzPFrKqKU |
Name |
benzoic acid, 2-[[[4-(2-pyridinyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.130697072 u |
Formula |
C18H20N4O2S |
InChI |
InChI=1S/C18H20N4O2S/c1-24-17(23)14-6-2-3-7-15(14)20-18(25)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h2-9H,10-13H2,1H3,(H,20,25) |
InChIKey |
PEFKRLQYDZAHLY-UHFFFAOYSA-N |
Molecular Weight |
356.444 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_1033 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13239618 |