![DCA-[G#1]-COOH](/api/spectrum/9rt9ArdUJCN/structure.png?h=300&w=458 "DCA-[G#1]-COOH")
| SpectraBase Compound ID | FeJLEaLH0Ze |
|---|---|
| InChI | InChI=1S/C61H94O14/c1-34(46-18-20-48-44-16-14-40-28-42(72-36(3)62)24-26-58(40,8)50(44)30-52(60(46,48)10)74-38(5)64)12-22-54(66)70-32-57(7,56(68)69)33-71-55(67)23-13-35(2)47-19-21-49-45-17-15-41-29-43(73-37(4)63)25-27-59(41,9)51(45)31-53(61(47,49)11)75-39(6)65/h34-35,40-53H,12-33H2,1-11H3,(H,68,69)/t34-,35-,40-,41-,42-,43-,44?,45?,46-,47-,48+,49+,50+,51+,52+,53+,57?,58+,59+,60-,61-/m1/s1 |
| InChIKey | ZHGGMKDALVJORI-JCBPRNQGSA-N |
| Mol Weight | 1051.4 g/mol |
| Molecular Formula | C61H94O14 |
| Exact Mass | 1050.664358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rt9ArdUJCN |
|---|---|
| Name | DCA-[G#1]-COOH |
| Compound Number | 7C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94O14 |
| InChI | InChI=1S/C61H94O14/c1-34(46-18-20-48-44-16-14-40-28-42(72-36(3)62)24-26-58(40,8)50(44)30-52(60(46,48)10)74-38(5)64)12-22-54(66)70-32-57(7,56(68)69)33-71-55(67)23-13-35(2)47-19-21-49-45-17-15-41-29-43(73-37(4)63)25-27-59(41,9)51(45)31-53(61(47,49)11)75-39(6)65/h34-35,40-53H,12-33H2,1-11H3,(H,68,69)/t34-,35-,40-,41-,42-,43-,44?,45?,46-,47-,48+,49+,50+,51+,52+,53+,57?,58+,59+,60-,61-/m1/s1 |
| InChIKey | ZHGGMKDALVJORI-JCBPRNQGSA-N |
| Literature Reference Author | J.ROPPONEN,J.TAMMINEN,M.LAHTINEN,J.LINNANTO,K.RISSANEN,E.KOL EHMAINEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,73(2005) |
| Molecular Weight | 1051.409 g/mol |
| Sample ID | 42209 |
| Solvent | CDCl3 |