| SpectraBase Spectrum ID |
HAIhjMyE0r0 |
| Name |
3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-, phenylmethyl 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 |
389.123877930 u |
| Formula |
C21H18F3NO3 |
| InChI |
InChI=1S/C21H18F3NO3/c1-13-19(20(27)28-12-14-5-3-2-4-6-14)17(11-18(26)25-13)15-7-9-16(10-8-15)21(22,23)24/h2-10,17H,11-12H2,1H3,(H,25,26) |
| InChIKey |
VGCPBQUWWZAQTK-UHFFFAOYSA-N |
| Molecular Weight |
389.374 g/mol |
| NMR Offset |
15.0036 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7639 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9313454; Lab Info: SAS; Lab Number: SAS-tst3187 |
| Temperature |
23.85 °C |
![3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-, phenylmethyl ester](/api/spectrum/HAIhjMyE0r0/structure.png?h=300&w=458 "3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-, phenylmethyl ester")
