![CYCLO[-(D-VAL-L-PRO-L-VAL-D-HYI)4-]-TALLIUM CATION](/api/spectrum/2vAnw236Mwu/structure.png?h=300&w=458 "CYCLO[-(D-VAL-L-PRO-L-VAL-D-HYI)4-]-TALLIUM CATION")
| SpectraBase Compound ID | 7EKQmjcewX0 |
|---|---|
| InChI | InChI=1S/C80H132N12O20.Tl/c1-37(2)53-73(101)89-33-25-29-49(89)65(93)85-58(42(11)12)78(106)110-62(46(19)20)70(98)82-55(39(5)6)75(103)91-35-27-31-51(91)67(95)87-60(44(15)16)80(108)112-64(48(23)24)72(100)84-56(40(7)8)76(104)92-36-28-32-52(92)68(96)88-59(43(13)14)79(107)111-63(47(21)22)71(99)83-54(38(3)4)74(102)90-34-26-30-50(90)66(94)86-57(41(9)10)77(105)109-61(45(17)18)69(97)81-53;/h37-64H,25-36H2,1-24H3,(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,93)(H,86,94)(H,87,95)(H,88,96);/q;+1/t49-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+;/m1./s1 |
| InChIKey | BEHWMUHQQYWGJJ-JZLVTRARSA-N |
| Mol Weight | 1786.4 g/mol |
| Molecular Formula | C80H132N12O20Tl |
| Exact Mass | 1785.942512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2vAnw236Mwu |
|---|---|
| Name | CYCLO[-(D-VAL-L-PRO-L-VAL-D-HYI)4-]-TALLIUM CATION |
| Comments | O |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C80H132N12O20Tl |
| InChI | InChI=1S/C80H132N12O20.Tl/c1-37(2)53-73(101)89-33-25-29-49(89)65(93)85-58(42(11)12)78(106)110-62(46(19)20)70(98)82-55(39(5)6)75(103)91-35-27-31-51(91)67(95)87-60(44(15)16)80(108)112-64(48(23)24)72(100)84-56(40(7)8)76(104)92-36-28-32-52(92)68(96)88-59(43(13)14)79(107)111-63(47(21)22)71(99)83-54(38(3)4)74(102)90-34-26-30-50(90)66(94)86-57(41(9)10)77(105)109-61(45(17)18)69(97)81-53;/h37-64H,25-36H2,1-24H3,(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,93)(H,86,94)(H,87,95)(H,88,96);/q;+1/t49-,50-,51-,52-,53+,54+,55+,56+,57-,58-,59-,60-,61+,62+,63+,64+;/m1./s1 |
| InChIKey | BEHWMUHQQYWGJJ-JZLVTRARSA-N |
| Instrument Name | Varian CFT-20 |
| Literature Reference | T.A.BALASHOVA, L.A.FONINA, L.B.SENYAVINA, N.V.STAROVOITOVA, G.YA.AVOTIN,V.T.IVANOV, YU.A.OVCHINNIKOV (1984) Bioorganich.Khim.(Russ. Lang.): v.10, N4,437-458. |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |