| SpectraBase Spectrum ID |
4fMPV0xjHaV |
| Name |
N-{(Z)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]propylidene}-2-phenylethanaminium |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C22H19F3N4OS/c1-2-15(26-13-12-14-8-4-3-5-9-14)18-19(22(23,24)25)28-29(20(18)30)21-27-16-10-6-7-11-17(16)31-21/h3-11,28H,2,12-13H2,1H3/p+1/b26-15- |
| InChIKey |
XQDIFZJEMMZGMK-YSMPRRRNSA-O |
| NMR Offset |
15.328 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI_21270_8459 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: UZI/9030850; UBI_ID: UBI-008462 |
| Synonyms |
N-{1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]propylidene}-2-phenylethanaminium |
| Temperature |
318 °C |
![N-{(Z)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]propylidene}-2-phenylethanaminium](/api/spectrum/4fMPV0xjHaV/structure.png?h=300&w=458 "N-{(Z)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]propylidene}-2-phenylethanaminium")
