| SpectraBase Compound ID | AkcQCa3YMyQ |
|---|---|
| InChI | InChI=1S/C27H24F3N5O6/c28-27(29,30)17-8-4-7-16(11-17)26(38)41-21-18(12-39-25(37)15-5-2-1-3-6-15)19(9-10-36)40-24(21)35-14-34-20-22(31)32-13-33-23(20)35/h1-8,11,13-14,18-19,21,24,36H,9-10,12H2,(H2,31,32,33)/t18-,19-,21-,24-/m0/s1 |
| InChIKey | RAQWWOOLWCHMHY-RSKVWTTASA-N |
| Mol Weight | 571.51 g/mol |
| Molecular Formula | C27H24F3N5O6 |
| Exact Mass | 571.167868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaorqSwkVsK |
|---|---|
| Name | RAQWWOOLWCHMHY-RSKVWTTASA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H24F3N5O6 |
| InChI | InChI=1S/C27H24F3N5O6/c28-27(29,30)17-8-4-7-16(11-17)26(38)41-21-18(12-39-25(37)15-5-2-1-3-6-15)19(9-10-36)40-24(21)35-14-34-20-22(31)32-13-33-23(20)35/h1-8,11,13-14,18-19,21,24,36H,9-10,12H2,(H2,31,32,33)/t18-,19-,21-,24-/m0/s1 |
| InChIKey | RAQWWOOLWCHMHY-RSKVWTTASA-N |
| Literature Reference Author | Z.HUANG,S.A.BENNER |
| Literature Reference Citation | J.ORG.CHEM.,67,3996(2002) |
| Literature Reference DOI | 10.1021/jo0003910 |
| Molecular Weight | 571.513 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26116 |