| SpectraBase Spectrum ID |
I2mlRV0gSXP |
| Name |
3H-pyrazol-3-one, 4-[[(1,3-benzodioxol-5-ylmethyl)amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.148869676 u |
| Formula |
C21H20FN3O3 |
| InChI |
InChI=1S/C21H20FN3O3/c1-2-3-18-17(21(26)25(24-18)16-7-5-15(22)6-8-16)12-23-11-14-4-9-19-20(10-14)28-13-27-19/h4-10,12,23H,2-3,11,13H2,1H3/b17-12+ |
| InChIKey |
IFLAAGVWVFBVQM-SFQUDFHCSA-N |
| Molecular Weight |
381.407 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_14722 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11220365; Lab Info: PRE; Lab Number: PRE-s000052 |
![3H-pyrazol-3-one, 4-[[(1,3-benzodioxol-5-ylmethyl)amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-](/api/spectrum/I2mlRV0gSXP/structure.png?h=300&w=458 "3H-pyrazol-3-one, 4-[[(1,3-benzodioxol-5-ylmethyl)amino]methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-")
