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1-[4-(2-CHLOROETHOXY)-PHENYL]-1-[2-(12-AZIDODODECANOYL)-OXYETHYL)-PHENYL]-2-PHENYLBUT-1-ENE;Z-ISOMER
SpectraBase Compound ID HnGGZNo9yBK
InChI InChI=1S/C38H48ClN3O3/c1-2-35(31-17-11-10-12-18-31)38(33-22-24-34(25-23-33)44-30-27-39)36-20-15-14-19-32(36)26-29-45-37(43)21-13-8-6-4-3-5-7-9-16-28-41-42-40/h10-12,14-15,17-20,22-25H,2-9,13,16,21,26-30H2,1H3/b38-35-
InChIKey KSWDHENFAKKSKS-DIGXQUICSA-N
Mol Weight 630.3 g/mol
Molecular Formula C38H48ClN3O3
Exact Mass 629.33842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDfiZQ90aHR
Name 1-[4-(2-CHLOROETHOXY)-PHENYL]-1-[2-(12-AZIDODODECANOYL)-OXYETHYL)-PHENYL]-2-PHENYLBUT-1-ENE;Z-ISOMER
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H48ClN3O3
InChI InChI=1S/C38H48ClN3O3/c1-2-35(31-17-11-10-12-18-31)38(33-22-24-34(25-23-33)44-30-27-39)36-20-15-14-19-32(36)26-29-45-37(43)21-13-8-6-4-3-5-7-9-16-28-41-42-40/h10-12,14-15,17-20,22-25H,2-9,13,16,21,26-30H2,1H3/b38-35-
InChIKey KSWDHENFAKKSKS-DIGXQUICSA-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 630.270 g/mol
Solvent CDCl3
Source File Reference UWSI5088