SpectraBase Spectrum ID |
jjd1xUP1I8 |
Name |
2-propenamide, N-(2-benzothiazolyl)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-, (2Z)- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
439.060232299 u |
Formula |
C22H12F3N3O2S |
InChI |
InChI=1S/C22H12F3N3O2S/c23-22(24,25)15-5-3-4-13(10-15)18-9-8-16(30-18)11-14(12-26)20(29)28-21-27-17-6-1-2-7-19(17)31-21/h1-11H,(H,27,28,29)/b14-11- |
InChIKey |
HSBZSUDPHZYKFE-KAMYIIQDSA-N |
Molecular Weight |
439.412 g/mol |
NMR Offset |
16.0087 |
NMR Spectrometer Frequency |
500.133 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_4580 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9245024; Lab Info: OBU; Lab Number: OBU-B000001 |