![4(1H)-Quinolinone,7-(4-azatetracyclo[5.3.0.0(3,5).1(2,6)]undecyl-4)-3-carboxy-6-fluoro-1-ethyl-](/api/spectrum/CPsMtf7CB44/structure.png?h=300&w=458 "4(1H)-Quinolinone,7-(4-azatetracyclo[5.3.0.0(3,5).1(2,6)]undecyl-4)-3-carboxy-6-fluoro-1-ethyl-")
| SpectraBase Compound ID | AClSgCSo50b |
|---|---|
| InChI | InChI=1S/C22H21FN2O3/c1-2-24-9-15(22(27)28)21(26)14-7-16(23)18(8-17(14)24)25-19-12-6-13(20(19)25)11-5-3-4-10(11)12/h3-4,7-13,19-20H,2,5-6H2,1H3,(H,27,28)/t10?,11?,12-,13+,19-,20+,25?/m1/s1 |
| InChIKey | PDWVATVEKKGUOY-XLIITYGJSA-N |
| Mol Weight | 380.42 g/mol |
| Molecular Formula | C22H21FN2O3 |
| Exact Mass | 380.153621 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CPsMtf7CB44 |
|---|---|
| Name | 4(1H)-Quinolinone,7-(4-azatetracyclo[5.3.0.0(3,5).1(2,6)]undecyl-4)-3-carboxy-6-fluoro-1-ethyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21FN2O3 |
| InChI | InChI=1S/C22H21FN2O3/c1-2-24-9-15(22(27)28)21(26)14-7-16(23)18(8-17(14)24)25-19-12-6-13(20(19)25)11-5-3-4-10(11)12/h3-4,7-13,19-20H,2,5-6H2,1H3,(H,27,28)/t10?,11?,12-,13+,19-,20+,25?/m1/s1 |
| InChIKey | PDWVATVEKKGUOY-XLIITYGJSA-N |
| Molecular Weight | 380.419 g/mol |
| SMILES | OC(C=1C(c2cc(c(N3[C@@]4([C@]5(C6C=CCC6[C@@]([C@]34[H])(C5)[H])[H])[H])cc2N(C1)CC)F)=O)=O |
| SPLASH | splash10-03xr-0098000000-8a3f0e633e9b6ca63c00 |
| Source of Spectrum | O1-33-1473-14 |
| Wiley ID | 819255 |