| SpectraBase Spectrum ID |
4oBaSIb01PO |
| Name |
alanine, 3,3,3-trifluoro-N-(4-fluorophenyl)-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 |
469.087253080 u |
| Formula |
C18H14F7N3O4 |
| InChI |
InChI=1S/C18H14F7N3O4/c1-31-14(29)16(17(20,21)22,27-12-4-2-10(19)3-5-12)28-15(30)26-11-6-8-13(9-7-11)32-18(23,24)25/h2-9,27H,1H3,(H2,26,28,30) |
| InChIKey |
DNBIKAZKBFVDMP-UHFFFAOYSA-N |
| Molecular Weight |
469.316 g/mol |
| NMR Offset |
17.9881 |
| NMR Spectrometer Frequency |
500.132 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17653 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/11260295; Lab Info: AU; Lab Number: AU-01050005 |
![alanine, 3,3,3-trifluoro-N-(4-fluorophenyl)-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester](/api/spectrum/4oBaSIb01PO/structure.png?h=300&w=458 "alanine, 3,3,3-trifluoro-N-(4-fluorophenyl)-2-[[[[4-(trifluoromethoxy)phenyl]amino]carbonyl]amino]-, methyl ester")
