![N-Trifluoroacetyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro-[1,4]-dioxino[2,3-g]isoquinoline](/api/spectrum/AiNINOLKRe7/structure.png?h=300&w=458 "N-Trifluoroacetyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro-[1,4]-dioxino[2,3-g]isoquinoline")
| SpectraBase Compound ID | ABq0wMi7w7N |
|---|---|
| InChI | InChI=1S/C22H22F3NO6/c1-28-17-9-13(10-18(29-2)20(17)30-3)19-14-11-16-15(31-6-7-32-16)8-12(14)4-5-26(19)21(27)22(23,24)25/h8-11,19H,4-7H2,1-3H3 |
| InChIKey | RFQRASVHFTYLRJ-UHFFFAOYSA-N |
| Mol Weight | 453.41 g/mol |
| Molecular Formula | C22H22F3NO6 |
| Exact Mass | 453.139922 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AiNINOLKRe7 |
|---|---|
| Name | N-Trifluoroacetyl-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro-[1,4]-dioxino[2,3-g]isoquinoline |
| Alternate Name(s) | 7-(trifluoroacetyl)-6-(3,4,5-trimethoxyphenyl)-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline 2,2,2-trifluoro-1-[6-(3,4,5-trimethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl]ethanone 2,2,2-tris(fluoranyl)-1-[6-(3,4,5-trimethoxyphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl]ethanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H22F3NO6 |
| InChI | InChI=1S/C22H22F3NO6/c1-28-17-9-13(10-18(29-2)20(17)30-3)19-14-11-16-15(31-6-7-32-16)8-12(14)4-5-26(19)21(27)22(23,24)25/h8-11,19H,4-7H2,1-3H3 |
| InChIKey | RFQRASVHFTYLRJ-UHFFFAOYSA-N |
| Molecular Weight | 453.414 g/mol |
| SMILES | C(N1C(c2cc3OCCOc3cc2CC1)c1cc(OC)c(c(c1)OC)OC)(C(F)(F)F)=O |
| SPLASH | splash10-0f79-0010900000-e2458f6e18fd7da45910 |
| Source of Spectrum | KC-57-8302-15 |
| Wiley ID | 1625945 |