| SpectraBase Spectrum ID |
2Q61Ttu0zlu |
| Name |
3H-pyrazol-3-one, 2-(2-benzothiazolyl)-5-[[(4-chlorophenyl)thio]methyl]-1,2-dihydro-4-[(E)-[[(E)-3-(4- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.121645143 u |
| Formula |
C25H26ClN5O2S2 |
| InChI |
InChI=1S/C25H26ClN5O2S2/c26-18-6-8-19(9-7-18)34-17-22-20(16-27-10-3-11-30-12-14-33-15-13-30)24(32)31(29-22)25-28-21-4-1-2-5-23(21)35-25/h1-2,4-9,16,29H,3,10-15,17H2/b27-16+ |
| InChIKey |
WMAWKSTVIDEBCL-JVWAILMASA-N |
| Molecular Weight |
528.089 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12888 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10260053; Lab Info: PRE; Lab Number: PRE-vgy0396 |
![3H-pyrazol-3-one, 2-(2-benzothiazolyl)-5-[[(4-chlorophenyl)thio]methyl]-1,2-dihydro-4-[(E)-[[(E)-3-(4-](/api/spectrum/2Q61Ttu0zlu/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(2-benzothiazolyl)-5-[[(4-chlorophenyl)thio]methyl]-1,2-dihydro-4-[(E)-[[(E)-3-(4-")
