| SpectraBase Spectrum ID |
Gz3fuBZaBdB |
| Name |
benzoic acid, 4-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]ethyl]amino]-, ethyl 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 |
456.130834399 u |
| Formula |
C21H20F4N2O5 |
| InChI |
InChI=1S/C21H20F4N2O5/c1-3-31-18(29)13-9-11-14(12-10-13)26-20(21(23,24)25,19(30)32-4-2)27-17(28)15-7-5-6-8-16(15)22/h5-12,26H,3-4H2,1-2H3,(H,27,28) |
| InChIKey |
FVZQMHJFYCWRCX-UHFFFAOYSA-N |
| Molecular Weight |
456.394 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7779 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10231188; Lab Info: AU; Lab Number: AU-t000953 |
| Temperature |
23.85 °C |
![benzoic acid, 4-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]ethyl]amino]-, ethyl ester](/api/spectrum/Gz3fuBZaBdB/structure.png?h=300&w=458 "benzoic acid, 4-[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]ethyl]amino]-, ethyl ester")
