![1,3-BIS-[3,4,5-TRI-((S)-3,7-DIMETHYLOCTYLOXY)-PHENYLUREIDO]-BENZENE](/api/spectrum/IK0RpD0Uer5/structure.png?h=300&w=458 "1,3-BIS-[3,4,5-TRI-((S)-3,7-DIMETHYLOCTYLOXY)-PHENYLUREIDO]-BENZENE")
| SpectraBase Compound ID | 8JkX34itur1 |
|---|---|
| InChI | InChI=1S/C80H138N4O8/c1-57(2)26-19-32-63(13)40-46-87-73-53-71(54-74(88-47-41-64(14)33-20-27-58(3)4)77(73)91-50-44-67(17)36-23-30-61(9)10)83-79(85)81-69-38-25-39-70(52-69)82-80(86)84-72-55-75(89-48-42-65(15)34-21-28-59(5)6)78(92-51-45-68(18)37-24-31-62(11)12)76(56-72)90-49-43-66(16)35-22-29-60(7)8/h25,38-39,52-68H,19-24,26-37,40-51H2,1-18H3,(H2,81,83,85)(H2,82,84,86)/t63-,64+,65-,66+,67-,68+ |
| InChIKey | OSKYKLHMZXBBME-IMOJRVHLSA-N |
| Mol Weight | 1284.0 g/mol |
| Molecular Formula | C80H138N4O8 |
| Exact Mass | 1283.051467 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IK0RpD0Uer5 |
|---|---|
| Name | 1,3-BIS-[3,4,5-TRI-((S)-3,7-DIMETHYLOCTYLOXY)-PHENYLUREIDO]-BENZENE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H138N4O8 |
| InChI | InChI=1S/C80H138N4O8/c1-57(2)26-19-32-63(13)40-46-87-73-53-71(54-74(88-47-41-64(14)33-20-27-58(3)4)77(73)91-50-44-67(17)36-23-30-61(9)10)83-79(85)81-69-38-25-39-70(52-69)82-80(86)84-72-55-75(89-48-42-65(15)34-21-28-59(5)6)78(92-51-45-68(18)37-24-31-62(11)12)76(56-72)90-49-43-66(16)35-22-29-60(7)8/h25,38-39,52-68H,19-24,26-37,40-51H2,1-18H3,(H2,81,83,85)(H2,82,84,86)/t63-,64+,65-,66+,67-,68+ |
| InChIKey | OSKYKLHMZXBBME-IMOJRVHLSA-N |
| Literature Reference Author | J.J.V.GORP,J.A.J.M.VEKEMANS,E.W.MEIJER |
| Literature Reference Citation | J.AM.CHEM.SOC.,124,14759(2002) |
| Literature Reference DOI | 10.1021/ja020984n |
| Molecular Weight | 1283.998 g/mol |
| Sample ID | 47183 |
| Solvent | CDCl3:CF3COOD |