| SpectraBase Compound ID | 5LjFHffsFRU |
|---|---|
| InChI | InChI=1S/C48H41NO4.C2HF3O2/c1-22(50)53-48-45-41-20-39(35-16-31-27-14-29(33(31)18-37(35)41)25-8-4-2-6-23(25)27)43(45)47(52-13-12-51-11-10-49)44-40-21-42(46(44)48)38-19-34-30-15-28(32(34)17-36(38)40)24-7-3-5-9-26(24)30;3-2(4,5)1(6)7/h2-9,16-19,27-30,39-42H,10-15,20-21,49H2,1H3;(H,6,7)/t27-,28+,29+,30-,39-,40+,41+,42-; |
| InChIKey | QRQYAONTRNSIBF-ALRXWVQYSA-N |
| Mol Weight | 809.9 g/mol |
| Molecular Formula | C50H42F3NO6 |
| Exact Mass | 809.296423 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZYqq550QKY |
|---|---|
| Name | QRQYAONTRNSIBF-ALRXWVQYSA-N |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H42F3NO6 |
| InChI | InChI=1S/C48H41NO4.C2HF3O2/c1-22(50)53-48-45-41-20-39(35-16-31-27-14-29(33(31)18-37(35)41)25-8-4-2-6-23(25)27)43(45)47(52-13-12-51-11-10-49)44-40-21-42(46(44)48)38-19-34-30-15-28(32(34)17-36(38)40)24-7-3-5-9-26(24)30;3-2(4,5)1(6)7/h2-9,16-19,27-30,39-42H,10-15,20-21,49H2,1H3;(H,6,7)/t27-,28+,29+,30-,39-,40+,41+,42-; |
| InChIKey | QRQYAONTRNSIBF-ALRXWVQYSA-N |
| Literature Reference Author | T.GERSTHAGEN,J.HOFMANN,F.G.KLAERNER,C.SCHMUCK,T.SCHRADER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1080(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201052 |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT20604 |