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Trimer of ethyl 2-cyano-3-(4-<3-butoxy-3-oxo-(E)-propenyl)-phenyl-(E)-propenoate

View entire compound with spectra: 1 NMR

Trimer of ethyl 2-cyano-3-(4-<3-butoxy-3-oxo-(E)-propenyl)-phenyl-(E)-propenoate
SpectraBase Compound ID 4Mmdv5mRIHw
InChI InChI=1S/C57H63N3O12/c1-10-34(7)70-44(61)29-20-37-16-21-39(22-17-37)47-45(52(63)71-35(8)11-2)49(56(47,32-59)54(65)68-14-5)41-25-27-42(28-26-41)50-46(53(64)72-36(9)12-3)48(57(50,33-60)55(66)69-15-6)40-23-18-38(19-24-40)30-43(31-58)51(62)67-13-4/h16-30,34-36,45-50H,10-15H2,1-9H3/b29-20+,43-30+
InChIKey JRLIKKHGKWHTQM-IJKQSEHOSA-N
Mol Weight 982.1 g/mol
Molecular Formula C57H63N3O12
Exact Mass 981.441174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hx9c1qrWIIw
Name Trimer of ethyl 2-cyano-3-(4-<3-butoxy-3-oxo-(E)-propenyl)-phenyl-(E)-propenoate
CAS Registry Number 66885-69-6
Comments TRIMER OF S-COMPOUND
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C57H63N3O12
InChI InChI=1S/C57H63N3O12/c1-10-34(7)70-44(61)29-20-37-16-21-39(22-17-37)47-45(52(63)71-35(8)11-2)49(56(47,32-59)54(65)68-14-5)41-25-27-42(28-26-41)50-46(53(64)72-36(9)12-3)48(57(50,33-60)55(66)69-15-6)40-23-18-38(19-24-40)30-43(31-58)51(62)67-13-4/h16-30,34-36,45-50H,10-15H2,1-9H3/b29-20+,43-30+
InChIKey JRLIKKHGKWHTQM-IJKQSEHOSA-N
Instrument Name Bruker HX-270
Literature Reference L. Addadi, M. Lahav, J. Am. Chem. Soc. 100, 2838 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3