| SpectraBase Spectrum ID |
LAQZnwqiLBe |
| Name |
1H-pyrazole-1-butanoic acid, 3-(4-bromophenyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydro-gamma-oxo- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.063384779 u |
| Formula |
C21H21BrN2O5 |
| InChI |
InChI=1S/C21H21BrN2O5/c1-28-15-7-8-19(29-2)16(11-15)18-12-17(13-3-5-14(22)6-4-13)23-24(18)20(25)9-10-21(26)27/h3-8,11,18H,9-10,12H2,1-2H3,(H,26,27) |
| InChIKey |
QOENYIUDIWSFAE-UHFFFAOYSA-N |
| Molecular Weight |
461.312 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12691 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10025733; Lab Info: PLU; Lab Number: FCI-478-0160 |
