![Pentafluoropropionyl-.alpha.-d[2]-.beta.-d[1]-normetanephrine](/api/spectrum/HqQtItwPcZe/structure.png?h=300&w=458 "Pentafluoropropionyl-.alpha.-d[2]-.beta.-d[1]-normetanephrine")
| SpectraBase Compound ID | 6ydlJRwTT23 |
|---|---|
| InChI | InChI=1S/C18H10F15NO6/c1-38-8-4-6(2-3-7(8)39-11(36)14(21,22)17(28,29)30)9(40-12(37)15(23,24)18(31,32)33)5-34-10(35)13(19,20)16(25,26)27/h2-4,9H,5H2,1H3,(H,34,35)/i5D2,9D |
| InChIKey | NXRRUQNFYZSKLL-GAUJEYLJSA-N |
| Mol Weight | 624.27 g/mol |
| Molecular Formula | C18H72D3F15NO6 |
| Exact Mass | 624.04569 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HqQtItwPcZe |
|---|---|
| Name | Pentafluoropropionyl-.alpha.-d[2]-.beta.-d[1]-normetanephrine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H7D3F15NO6 |
| InChI | InChI=1S/C18H10F15NO6/c1-38-8-4-6(2-3-7(8)39-11(36)14(21,22)17(28,29)30)9(40-12(37)15(23,24)18(31,32)33)5-34-10(35)13(19,20)16(25,26)27/h2-4,9H,5H2,1H3,(H,34,35)/i5D2,9D |
| InChIKey | NXRRUQNFYZSKLL-GAUJEYLJSA-N |
| Molecular Weight | 624.273 g/mol |
| SMILES | N(C(C(OC(C(C(F)(F)F)(F)F)=O)(c1cc(OC)c(OC(C(C(F)(F)F)(F)F)=O)cc1)[2D])([2D])[2D])C(C(C(F)(F)F)(F)F)=O |
| SPLASH | splash10-03xs-0200900000-919bc4e59dad0bd9991f |
| Source of Spectrum | BS-5-212-0 |
| Wiley ID | 127841 |