| SpectraBase Spectrum ID |
3pWfwm2iMDU |
| Name |
1-piperidinecarboxylic acid, 4-[4-carboxy-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.161184025 u |
| Formula |
C21H26ClN3O4 |
| InChI |
InChI=1S/C21H26ClN3O4/c1-13-5-6-15(11-17(13)22)25-18(16(12-23-25)19(26)27)14-7-9-24(10-8-14)20(28)29-21(2,3)4/h5-6,11-12,14H,7-10H2,1-4H3,(H,26,27) |
| InChIKey |
IKOZJJSHXUECBO-UHFFFAOYSA-N |
| Molecular Weight |
419.909 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_6668 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12709911 |
![1-piperidinecarboxylic acid, 4-[4-carboxy-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester](/api/spectrum/3pWfwm2iMDU/structure.png?h=300&w=458 "1-piperidinecarboxylic acid, 4-[4-carboxy-1-(3-chloro-4-methylphenyl)-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester")
