| SpectraBase Spectrum ID |
I9SNiiH5Ypr |
| Name |
2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methyl-butanoic acid |
| Alternate Name(s) |
2-[homoveratryl(triflyl)amino]-3-methyl-butyric acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H22F3NO6S |
| InChI |
InChI=1S/C16H22F3NO6S/c1-10(2)14(15(21)22)20(27(23,24)16(17,18)19)8-7-11-5-6-12(25-3)13(9-11)26-4/h5-6,9-10,14H,7-8H2,1-4H3,(H,21,22) |
| InChIKey |
RUNNUIPQHXJVFB-UHFFFAOYSA-N |
| Molecular Weight |
413.408 g/mol |
| SMILES |
OC(C(N(S(C(F)(F)F)(=O)=O)CCc1cc(OC)c(cc1)OC)C(C)C)=O |
| SPLASH |
splash10-0udi-0900100000-d262d08afc8cebcf48df |
| Source of Spectrum |
H1-45-1125-1 |
| Wiley ID |
758303 |
![2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methyl-butanoic acid](/api/spectrum/I9SNiiH5Ypr/structure.png?h=300&w=458 "2-[2-(3,4-dimethoxyphenyl)ethyl-(trifluoromethylsulfonyl)amino]-3-methyl-butanoic acid")
