| SpectraBase Compound ID | 4qR09Jydbx |
|---|---|
| InChI | InChI=1S/C48H28BrF9N4O3S/c50-45(51,46(52,53)65-47(54,55)48(56,57)66(58,63)64)30-25-35-36(26-13-5-1-6-14-26)31-21-22-33(59-31)38(28-17-9-3-10-18-28)43-40-41(49-40)44(62-43)39(29-19-11-4-12-20-29)34-24-23-32(60-34)37(42(30)61-35)27-15-7-2-8-16-27/h1-25,49,59-60H/b36-31-,36-35-,37-32-,38-33-,39-34-,42-37-,43-38-,44-39- |
| InChIKey | YLUIIHQTWFQWFF-MSFZATEISA-N |
| Mol Weight | 990.7 g/mol |
| Molecular Formula | C48H27BrF9N4O3S |
| Exact Mass | 989.084353 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3iWDwskhxD0 |
|---|---|
| Name | YLUIIHQTWFQWFF-MSFZATEISA-N |
| Compound Number | 5AD1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H27BrF9N4O3S |
| InChI | InChI=1S/C48H28BrF9N4O3S/c50-45(51,46(52,53)65-47(54,55)48(56,57)66(58,63)64)30-25-35-36(26-13-5-1-6-14-26)31-21-22-33(59-31)38(28-17-9-3-10-18-28)43-40-41(49-40)44(62-43)39(29-19-11-4-12-20-29)34-24-23-32(60-34)37(42(30)61-35)27-15-7-2-8-16-27/h1-25,49,59-60H/b36-31-,36-35-,37-32-,38-33-,39-34-,42-37-,43-38-,44-39- |
| InChIKey | YLUIIHQTWFQWFF-MSFZATEISA-N |
| Literature Reference Author | L.M.JIN,Z.ZENG,C.C.GUO,Q.Y.CHEN |
| Literature Reference Citation | J.ORG.CHEM.,68,3912(2003) |
| Literature Reference DOI | 10.1021/jo0207269 |
| Solvent | CDCl3 |
| Source File Reference | UWLU23261 |