| SpectraBase Compound ID | FlVLSfMlAeR |
|---|---|
| InChI | InChI=1S/C60H49FN4O3/c61-46-28-25-43(26-29-46)59(66)68-38-60(67)36-14-13-23-45(60)27-24-44-37-53-56(41-19-9-3-10-20-41)51-33-32-49(63-51)54(39-15-5-1-6-16-39)47-30-31-48(62-47)55(40-17-7-2-8-18-40)50-34-35-52(64-50)57(58(44)65-53)42-21-11-4-12-22-42/h1-12,15-22,25-26,28-35,37,45,62,64,67H,13-14,23-24,27,36,38H2/b54-47-,54-49-,55-48-,55-50-,56-51-,56-53-,57-52-,58-57-/t45-,60-/m1/s1 |
| InChIKey | DYJZCRQLUOQQKG-KKOPSJIASA-N |
| Mol Weight | 893.1 g/mol |
| Molecular Formula | C60H49FN4O3 |
| Exact Mass | 892.37887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPLjLK0TDVT |
|---|---|
| Name | DYJZCRQLUOQQKG-KKOPSJIASA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H49FN4O3 |
| InChI | InChI=1S/C60H49FN4O3/c61-46-28-25-43(26-29-46)59(66)68-38-60(67)36-14-13-23-45(60)27-24-44-37-53-56(41-19-9-3-10-20-41)51-33-32-49(63-51)54(39-15-5-1-6-16-39)47-30-31-48(62-47)55(40-17-7-2-8-18-40)50-34-35-52(64-50)57(58(44)65-53)42-21-11-4-12-22-42/h1-12,15-22,25-26,28-35,37,45,62,64,67H,13-14,23-24,27,36,38H2/b54-47-,54-49-,55-48-,55-50-,56-51-,56-53-,57-52-,58-57-/t45-,60-/m1/s1 |
| InChIKey | DYJZCRQLUOQQKG-KKOPSJIASA-N |
| Literature Reference Author | J.CAZELLE,A.ROBERT,B.MEUNIER |
| Literature Reference Citation | J.ORG.CHEM.,67,609(2002) |
| Literature Reference DOI | 10.1021/jo010688d |
| Molecular Weight | 893.072 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWMS23156 |