| SpectraBase Compound ID | KCNDqttYFCv |
|---|---|
| InChI | InChI=1S/C37H48FN3O13S/c1-9-11-22-12-28(41(15-22)27-14-26-23(13-25(27)38)30(46)24(36(48)49)16-40(26)10-2)35(47)39-29(17(3)50-18(4)42)31-32(51-19(5)43)33(52-20(6)44)34(53-21(7)45)37(54-31)55-8/h13-14,16-17,22,28-29,31-34,37H,9-12,15H2,1-8H3,(H,39,47)(H,48,49)/t17?,22-,28+,29?,31+,32-,33-,34+,37+/m0/s1 |
| InChIKey | IPZNFVOYOOZPTF-LHYNJBRNSA-N |
| Mol Weight | 793.9 g/mol |
| Molecular Formula | C37H48FN3O13S |
| Exact Mass | 793.289188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5P1Z5sE4lFl |
|---|---|
| Name | IPZNFVOYOOZPTF-LHYNJBRNSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H48FN3O13S |
| InChI | InChI=1S/C37H48FN3O13S/c1-9-11-22-12-28(41(15-22)27-14-26-23(13-25(27)38)30(46)24(36(48)49)16-40(26)10-2)35(47)39-29(17(3)50-18(4)42)31-32(51-19(5)43)33(52-20(6)44)34(53-21(7)45)37(54-31)55-8/h13-14,16-17,22,28-29,31-34,37H,9-12,15H2,1-8H3,(H,39,47)(H,48,49)/t17?,22-,28+,29?,31+,32-,33-,34+,37+/m0/s1 |
| InChIKey | IPZNFVOYOOZPTF-LHYNJBRNSA-N |
| Literature Reference Author | S.DELOISY,A.OLESKER,G.LUKACS |
| Literature Reference Citation | HETEROCYCLES,41,259(1995) |
| Literature Reference DOI | 10.3987/COM-94-6831 |
| Molecular Weight | 793.859 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP4533 |