| SpectraBase Spectrum ID |
GBBOjLdxa5M |
| Name |
3H-pyrazol-3-one, 2-(5-chloro-2-nitrophenyl)-4-[[4-(1,1-dimethylethyl)phenyl]methylene]-2,4-dihydro-5-methyl-, (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 |
397.119319213 u |
| Formula |
C21H20ClN3O3 |
| InChI |
InChI=1S/C21H20ClN3O3/c1-13-17(11-14-5-7-15(8-6-14)21(2,3)4)20(26)24(23-13)19-12-16(22)9-10-18(19)25(27)28/h5-12H,1-4H3/b17-11+ |
| InChIKey |
VOANQJKFSCUHHF-GZTJUZNOSA-N |
| Molecular Weight |
397.862 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13175 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10301268; Lab Info: LP; Lab Number: LP-0340306 |
![3H-pyrazol-3-one, 2-(5-chloro-2-nitrophenyl)-4-[[4-(1,1-dimethylethyl)phenyl]methylene]-2,4-dihydro-5-methyl-, (4E)-](/api/spectrum/GBBOjLdxa5M/structure.png?h=300&w=458 "3H-pyrazol-3-one, 2-(5-chloro-2-nitrophenyl)-4-[[4-(1,1-dimethylethyl)phenyl]methylene]-2,4-dihydro-5-methyl-, (4E)-")
