| SpectraBase Compound ID | 9b0JzMolmh3 |
|---|---|
| InChI | InChI=1S/C38H58N6O10.2C2HF3O2/c39-33(37(49)50)25-29-5-9-31(10-6-29)53-23-3-1-13-41-15-19-43(27-35(45)46)21-17-42(18-22-44(20-16-41)28-36(47)48)14-2-4-24-54-32-11-7-30(8-12-32)26-34(40)38(51)52;2*3-2(4,5)1(6)7/h5-12,33-34H,1-4,13-28,39-40H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52);2*(H,6,7) |
| InChIKey | VFPONTZUXGMPQI-UHFFFAOYSA-N |
| Mol Weight | 986.96 g/mol |
| Molecular Formula | C42H60F6N6O14 |
| Exact Mass | 986.40717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHlTE1rYGta |
|---|---|
| Name | VFPONTZUXGMPQI-UHFFFAOYSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H60F6N6O14 |
| InChI | InChI=1S/C38H58N6O10.2C2HF3O2/c39-33(37(49)50)25-29-5-9-31(10-6-29)53-23-3-1-13-41-15-19-43(27-35(45)46)21-17-42(18-22-44(20-16-41)28-36(47)48)14-2-4-24-54-32-11-7-30(8-12-32)26-34(40)38(51)52;2*3-2(4,5)1(6)7/h5-12,33-34H,1-4,13-28,39-40H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52);2*(H,6,7) |
| InChIKey | VFPONTZUXGMPQI-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2010) |
| Molecular Weight | 986.961 g/mol |
| Source File Reference | MHKO27157 |