| SpectraBase Spectrum ID |
BQy9G6NMjUd |
| Name |
alanine, N-(5-chloro-2-pyridinyl)-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-, methyl 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 |
405.050331607 u |
| Formula |
C16H12ClF4N3O3 |
| InChI |
InChI=1S/C16H12ClF4N3O3/c1-27-14(26)15(16(19,20)21,23-12-7-6-9(17)8-22-12)24-13(25)10-4-2-3-5-11(10)18/h2-8H,1H3,(H,22,23)(H,24,25) |
| InChIKey |
AIDWXACDVQZZJF-UHFFFAOYSA-N |
| Molecular Weight |
405.737 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15092 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10321941; Lab Info: AU; Lab Number: AU-Z000632 |
![alanine, N-(5-chloro-2-pyridinyl)-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-, methyl ester](/api/spectrum/BQy9G6NMjUd/structure.png?h=300&w=458 "alanine, N-(5-chloro-2-pyridinyl)-3,3,3-trifluoro-2-[(2-fluorobenzoyl)amino]-, methyl ester")
