| SpectraBase Spectrum ID |
CNhGr3SJixK |
| Name |
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.016040665 u |
| Formula |
C13H13BrN2O2 |
| InChI |
InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(6-4-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18) |
| InChIKey |
RRGZDXPJSNTEEO-UHFFFAOYSA-N |
| Molecular Weight |
309.163 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9116 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13228354 |
![4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid](/api/spectrum/CNhGr3SJixK/structure.png?h=300&w=458 "4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid")
