| SpectraBase Compound ID | Fwy9SGFwnpa |
|---|---|
| InChI | InChI=1S/C35H49F3N6O6/c1-12-49-30(47)20(4)15-26(19(2)3)44(11)29(46)27(32(5,6)7)41-28(45)25(40-31(48)50-33(8,9)10)16-21-18-39-24-17-22(13-14-23(21)24)34(42-43-34)35(36,37)38/h13-15,17-19,25-27,39H,12,16H2,1-11H3,(H,40,48)(H,41,45)/b20-15+/t25-,26+,27+/m0/s1 |
| InChIKey | MCRREGSJEDYNEY-JNFHEVABSA-N |
| Mol Weight | 706.8 g/mol |
| Molecular Formula | C35H49F3N6O6 |
| Exact Mass | 706.366568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jKIYB59rnY |
|---|---|
| Name | N-BOC-PHOTOHEMIASTERLIN-ETHYLESTER |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H49F3N6O6 |
| InChI | InChI=1S/C35H49F3N6O6/c1-12-49-30(47)20(4)15-26(19(2)3)44(11)29(46)27(32(5,6)7)41-28(45)25(40-31(48)50-33(8,9)10)16-21-18-39-24-17-22(13-14-23(21)24)34(42-43-34)35(36,37)38/h13-15,17-19,25-27,39H,12,16H2,1-11H3,(H,40,48)(H,41,45)/b20-15+/t25-,26+,27+/m0/s1 |
| InChIKey | MCRREGSJEDYNEY-JNFHEVABSA-N |
| Literature Reference Author | T.WARTMANN,T.LINDEL |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2013,1649(2013) |
| Literature Reference DOI | 10.1002/ejoc.201201726 |
| Molecular Weight | 706.806 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT17931 |