| SpectraBase Spectrum ID |
LxPJeTV8Reg |
| Name |
N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-(4-fluorophenyl)-1,1-dimethylprop-2-ynyl]malonamic acid ethyl ester |
| Alternate Name(s) |
ethyl 3-{[2-(3,4-dimethoxyphenyl)ethyl][3-(4-fluorophenyl)-1,1-dimethyl-2-propynyl]amino}-3-oxopropanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30FNO5 |
| InChI |
InChI=1S/C26H30FNO5/c1-6-33-25(30)18-24(29)28(16-14-20-9-12-22(31-4)23(17-20)32-5)26(2,3)15-13-19-7-10-21(27)11-8-19/h7-12,17H,6,14,16,18H2,1-5H3 |
| InChIKey |
WQQLUWCEGIFICH-UHFFFAOYSA-N |
| Molecular Weight |
455.526 g/mol |
| SMILES |
C(CC(=O)N(C(C#Cc1ccc(cc1)F)(C)C)CCc1cc(c(cc1)OC)OC)(=O)OCC |
| SPLASH |
splash10-03di-0900000000-2f0e34dd65ce8a451cb9 |
| Source of Spectrum |
F4-0-2026-4 |
| Wiley ID |
1619934 |
![N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-(4-fluorophenyl)-1,1-dimethylprop-2-ynyl]malonamic acid ethyl ester](/api/spectrum/LxPJeTV8Reg/structure.png?h=300&w=458 "N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-(4-fluorophenyl)-1,1-dimethylprop-2-ynyl]malonamic acid ethyl ester")
