| SpectraBase Spectrum ID |
IRGs0XKqHTl |
| Name |
3H-pyrazol-3-one, 2-(2-benzothiazolyl)-5-[[(4-chlorophenyl)thio]methyl]-4-[(E)-[[(E)-2-furanylmethyl]imino]methyl]-1,2- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.048145849 u |
| Formula |
C23H17ClN4O2S2 |
| InChI |
InChI=1S/C23H17ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-11,13,27H,12,14H2/b25-13+ |
| InChIKey |
MCVUVXZGPCCVIY-DHRITJCHSA-N |
| Molecular Weight |
480.988 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11952 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10260054; Lab Info: PRE; Lab Number: PRE-vgy0398 |
![3H-pyrazol-3-one, 2-(2-benzothiazolyl)-5-[[(4-chlorophenyl)thio]methyl]-4-[(E)-[[(E)-2-furanylmethyl]imino]methyl]-1,2-](/api/spectrum/IRGs0XKqHTl/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(2-benzothiazolyl)-5-[[(4-chlorophenyl)thio]methyl]-4-[(E)-[[(E)-2-furanylmethyl]imino]methyl]-1,2-")
