| SpectraBase Spectrum ID |
DdmlaGAnYxE |
| Name |
alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3,3,3-trifluoro-2-[(1-oxopentyl)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 |
419.149047305 u |
| Formula |
C18H24F3N3O3S |
| InChI |
InChI=1S/C18H24F3N3O3S/c1-5-8-9-14(25)23-17(18(19,20)21,16(26)27-7-3)24-15-13(10-22)12(6-2)11(4)28-15/h24H,5-9H2,1-4H3,(H,23,25) |
| InChIKey |
MMPQYKHFKHEWDQ-UHFFFAOYSA-N |
| Molecular Weight |
419.463 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11471 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10261453; Lab Info: AU; Lab Number: AU-ES01057 |
![alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester](/api/spectrum/DdmlaGAnYxE/structure.png?h=300&w=458 "alanine, N-(3-cyano-4-ethyl-5-methyl-2-thienyl)-3,3,3-trifluoro-2-[(1-oxopentyl)amino]-, ethyl ester")
