| SpectraBase Spectrum ID |
KEzk1E97Kfs |
| Name |
butanoic acid, 3-methyl-, 2-[(1Z)-1-[1-(2-benzothiazolyl)-1,5-dihydro-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]ethyl]hydrazide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.113330501 u |
| Formula |
C18H18F3N5O2S |
| InChI |
InChI=1S/C18H18F3N5O2S/c1-9(2)8-13(27)24-23-10(3)14-15(18(19,20)21)25-26(16(14)28)17-22-11-6-4-5-7-12(11)29-17/h4-7,9,23H,8H2,1-3H3,(H,24,27)/b14-10- |
| InChIKey |
IHRIIVOIGCPXEW-UVTDQMKNSA-N |
| Molecular Weight |
425.430 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11726 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10271433; Lab Info: PREZ; Lab Number: PREZ-X000013 |
![N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]ethyl]-3-methyl-butyrohydrazide](/api/spectrum/KEzk1E97Kfs/structure.png?h=300&w=458 "N'-[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]ethyl]-3-methyl-butyrohydrazide")
