| SpectraBase Spectrum ID |
1ScgNlF4Z8g |
| Name |
2-[N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonyl)amino]propanoic acid |
| Alternate Name(s) |
2-[N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonyl)amido]propanoic acid
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(trifluoromethyl)sulfonyl]alanine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18F3NO6S |
| InChI |
InChI=1S/C14H18F3NO6S/c1-9(13(19)20)18(25(21,22)14(15,16)17)7-6-10-4-5-11(23-2)12(8-10)24-3/h4-5,8-9H,6-7H2,1-3H3,(H,19,20) |
| InChIKey |
ZJDSFBVLPOFHCS-UHFFFAOYSA-N |
| Molecular Weight |
385.354 g/mol |
| SMILES |
OC(C(N(S(C(F)(F)F)(=O)=O)CCc1cc(OC)c(cc1)OC)C)=O |
| SPLASH |
splash10-0udi-0901000000-31f21e135d5e30f73e49 |
| Source of Spectrum |
H1-45-1125-1 |
| Wiley ID |
758306 |
![2-[N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonyl)amino]propanoic acid](/api/spectrum/1ScgNlF4Z8g/structure.png?h=300&w=458 "2-[N-[2-(3,4-Dimethoxyphenyl)ethyl]-N-(trifluoromethanesulfonyl)amino]propanoic acid")
