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1-[4-(2-DIMETHYLAMINOETHOXY)-PHENYL]-1-[2-(12-AZIDODODECANOYL)-OXYETHYL]-PHENYL]-2-PHENYLBUT-1-ENE
SpectraBase Compound ID 6oNZIOW8voB
InChI InChI=1S/C40H54N4O3/c1-4-37(33-19-13-12-14-20-33)40(35-24-26-36(27-25-35)46-32-30-44(2)3)38-22-17-16-21-34(38)28-31-47-39(45)23-15-10-8-6-5-7-9-11-18-29-42-43-41/h12-14,16-17,19-22,24-27H,4-11,15,18,23,28-32H2,1-3H3/b40-37+
InChIKey VQHMSQTYUHIYLV-UKRDSVFVSA-N
Mol Weight 638.9 g/mol
Molecular Formula C40H54N4O3
Exact Mass 638.419592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3pphUuTKz4q
Name 1-[4-(2-DIMETHYLAMINOETHOXY)-PHENYL]-1-[2-(12-AZIDODODECANOYL)-OXYETHYL]-PHENYL]-2-PHENYLBUT-1-ENE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54N4O3
InChI InChI=1S/C40H54N4O3/c1-4-37(33-19-13-12-14-20-33)40(35-24-26-36(27-25-35)46-32-30-44(2)3)38-22-17-16-21-34(38)28-31-47-39(45)23-15-10-8-6-5-7-9-11-18-29-42-43-41/h12-14,16-17,19-22,24-27H,4-11,15,18,23,28-32H2,1-3H3/b40-37+
InChIKey VQHMSQTYUHIYLV-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 638.894 g/mol
Solvent CDCl3
Source File Reference UWSI5089