| SpectraBase Spectrum ID |
8yMzTqPejwb |
| Name |
alanine, 3,3,3-trifluoro-N-phenyl-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]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 |
451.096674949 u |
| Formula |
C18H15F6N3O4 |
| InChI |
InChI=1S/C18H15F6N3O4/c1-30-14(28)16(17(19,20)21,26-12-5-3-2-4-6-12)27-15(29)25-11-7-9-13(10-8-11)31-18(22,23)24/h2-10,26H,1H3,(H2,25,27,29) |
| InChIKey |
KNPBQBVYSPGTJH-UHFFFAOYSA-N |
| Molecular Weight |
451.325 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_18211 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11260291; Lab Info: AU; Lab Number: AU-01050001 |
![alanine, 3,3,3-trifluoro-N-phenyl-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester](/api/spectrum/8yMzTqPejwb/structure.png?h=300&w=458 "alanine, 3,3,3-trifluoro-N-phenyl-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester")
