| SpectraBase Compound ID | HD1duhMPmkm |
|---|---|
| InChI | InChI=1S/C50H59F3N10O7.HI/c1-47(2)34-15-6-8-18-37(34)62(5)39(47)20-14-21-40-48(3,4)35-16-7-9-19-38(35)63(40)28-13-11-22-41(64)54-27-12-10-17-36(46(69)57-30-43(66)55-29-42(65)56-31-44(67)59-70)58-45(68)32-23-25-33(26-24-32)49(60-61-49)50(51,52)53;/h6-9,14-16,18-21,23-26,36H,10-13,17,22,27-31H2,1-5H3,(H6-,54,55,56,57,58,59,60,61,64,65,66,67,68,69,70);1H/t36-;/m1./s1 |
| InChIKey | PLTFAWMQWUCBPW-SKRAEFHRSA-N |
| Mol Weight | 1097.0 g/mol |
| Molecular Formula | C50H60F3IN10O7 |
| Exact Mass | 1096.364324 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 328qWdCPJRz |
|---|---|
| Name | PLTFAWMQWUCBPW-SKRAEFHRSA-N |
| Compound Number | 5F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H59F3IN10O7 |
| InChI | InChI=1S/C50H59F3N10O7.HI/c1-47(2)34-15-6-8-18-37(34)62(5)39(47)20-14-21-40-48(3,4)35-16-7-9-19-38(35)63(40)28-13-11-22-41(64)54-27-12-10-17-36(46(69)57-30-43(66)55-29-42(65)56-31-44(67)59-70)58-45(68)32-23-25-33(26-24-32)49(60-61-49)50(51,52)53;/h6-9,14-16,18-21,23-26,36H,10-13,17,22,27-31H2,1-5H3,(H6-,54,55,56,57,58,59,60,61,64,65,66,67,68,69,70);1H/t36-;/m1./s1 |
| InChIKey | PLTFAWMQWUCBPW-SKRAEFHRSA-N |
| Literature Reference Author | E.W.S.CHAN,S.CHATTOPADHAYA,R.C.PANICKER,X.HUANG,S.Q.YAO |
| Literature Reference Citation | J.AM.CHEM.SOC.,126,14435(2004) |
| Literature Reference DOI | 10.1021/ja047044i |
| Solvent | CD3OD |
| Source File Reference | UWLU34858 |