| SpectraBase Spectrum ID |
Gqw6Ex79tEx |
| Name |
N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-(3-trifluoromethylphenyl)-1,1-dimethylprop-2-ynyl]malonamic acid ethyl ester |
| Alternate Name(s) |
ethyl 3-([2-(3,4-dimethoxyphenyl)ethyl]{1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]-2-propynyl}amino)-3-oxopropanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H30F3NO5 |
| InChI |
InChI=1S/C27H30F3NO5/c1-6-36-25(33)18-24(32)31(15-13-20-10-11-22(34-4)23(17-20)35-5)26(2,3)14-12-19-8-7-9-21(16-19)27(28,29)30/h7-11,16-17H,6,13,15,18H2,1-5H3 |
| InChIKey |
RGTVRPVKRXLFLG-UHFFFAOYSA-N |
| Molecular Weight |
505.534 g/mol |
| SMILES |
C(CC(=O)N(C(C#Cc1cc(ccc1)C(F)(F)F)(C)C)CCc1cc(c(cc1)OC)OC)(=O)OCC |
| SPLASH |
splash10-0udi-0900000000-8a5e240c123e5eca8d9a |
| Source of Spectrum |
F4-0-2026-4 |
| Wiley ID |
1619935 |
![N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-(3-trifluoromethylphenyl)-1,1-dimethylprop-2-ynyl]malonamic acid ethyl ester](/api/spectrum/Gqw6Ex79tEx/structure.png?h=300&w=458 "N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-[3-(3-trifluoromethylphenyl)-1,1-dimethylprop-2-ynyl]malonamic acid ethyl ester")
