![1-[4-(2-DIMETHYLAMINOETHOXY)-PHENYL]-1-[2-(12-AMINODODECANOYL)-OXYETHYL]-PHENYL]-2-PHENYLBUT-1-ENE](/api/spectrum/GLsV8z2HhJs/structure.png?h=300&w=458 "1-[4-(2-DIMETHYLAMINOETHOXY)-PHENYL]-1-[2-(12-AMINODODECANOYL)-OXYETHYL]-PHENYL]-2-PHENYLBUT-1-ENE")
| SpectraBase Compound ID | C1xr2yZxpVS |
|---|---|
| InChI | InChI=1S/C40H56N2O3/c1-4-37(33-19-13-12-14-20-33)40(35-24-26-36(27-25-35)44-32-30-42(2)3)38-22-17-16-21-34(38)28-31-45-39(43)23-15-10-8-6-5-7-9-11-18-29-41/h12-14,16-17,19-22,24-27H,4-11,15,18,23,28-32,41H2,1-3H3/b40-37+ |
| InChIKey | ISGIMDWCGINSET-UKRDSVFVSA-N |
| Mol Weight | 612.9 g/mol |
| Molecular Formula | C40H56N2O3 |
| Exact Mass | 612.429094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLsV8z2HhJs |
|---|---|
| Name | 1-[4-(2-DIMETHYLAMINOETHOXY)-PHENYL]-1-[2-(12-AMINODODECANOYL)-OXYETHYL]-PHENYL]-2-PHENYLBUT-1-ENE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H56N2O3 |
| InChI | InChI=1S/C40H56N2O3/c1-4-37(33-19-13-12-14-20-33)40(35-24-26-36(27-25-35)44-32-30-42(2)3)38-22-17-16-21-34(38)28-31-45-39(43)23-15-10-8-6-5-7-9-11-18-29-41/h12-14,16-17,19-22,24-27H,4-11,15,18,23,28-32,41H2,1-3H3/b40-37+ |
| InChIKey | ISGIMDWCGINSET-UKRDSVFVSA-N |
| Literature Reference Author | R.A.BELL,K.C.DICKSON,J.F.VALLIANT |
| Literature Reference Citation | CAN.J.CHEM.,77,146(1999) |
| Literature Reference DOI | 10.1139/cjc-77-1-146 |
| Molecular Weight | 612.896 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI5090 |