![3-[(Propylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate fumaric acid salt](/api/spectrum/FjlKb82uHgb/structure.png?h=300&w=458 "3-[(Propylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate fumaric acid salt")
| SpectraBase Compound ID | FfTFJ2FbSoy |
|---|---|
| InChI | InChI=1S/C13H16F3NO5S.C4H4O4/c1-2-5-17-7-10-8-20-11-4-3-9(6-12(11)21-10)22-23(18,19)13(14,15)16;5-3(6)1-2-4(7)8/h3-4,6,10,17H,2,5,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | SFPJLSWGUKQGGS-WLHGVMLRSA-N |
| Mol Weight | 471.4 g/mol |
| Molecular Formula | C17H20F3NO9S |
| Exact Mass | 471.081087 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FjlKb82uHgb |
|---|---|
| Name | 3-[(Propylamino)methyl]-2,3-dihydro-1,4-benzodioxin-6-yl trifluoromethanesulfonate fumaric acid salt |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20F3NO9S |
| InChI | InChI=1S/C13H16F3NO5S.C4H4O4/c1-2-5-17-7-10-8-20-11-4-3-9(6-12(11)21-10)22-23(18,19)13(14,15)16;5-3(6)1-2-4(7)8/h3-4,6,10,17H,2,5,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| InChIKey | SFPJLSWGUKQGGS-WLHGVMLRSA-N |
| Ionization Type | EI |
| Molecular Weight | 471.400 g/mol |
| SMILES | OC(\C=C\C(=O)O)=O.N(CCC)CC1Oc2cc(OS(C(F)(F)F)(=O)=O)ccc2OC1 |
| SPLASH | splash10-00di-9001000000-90787b4a912754f6e5b7 |
| Source of Spectrum | US20110105462A1 |
| Wiley ID | 1844457 |