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(2E,2'E,2''E,2'''E)-Tetrakis(2-ethylhexyl)-3,3',3'',3'''-(1-methyl-1H-pyrrole-2,3,4,5-tetrayl)tetraacrylate
SpectraBase Compound ID 65LWdNCSLuM
InChI InChI=1S/C49H79NO8/c1-10-18-22-38(14-5)34-55-46(51)30-26-42-43(27-31-47(52)56-35-39(15-6)23-19-11-2)45(29-33-49(54)58-37-41(17-8)25-21-13-4)50(9)44(42)28-32-48(53)57-36-40(16-7)24-20-12-3/h26-33,38-41H,10-25,34-37H2,1-9H3/b30-26+,31-27+,32-28+,33-29+
InChIKey KMWDVOVNSQCRRH-SISLMFCMSA-N
Mol Weight 810.2 g/mol
Molecular Formula C49H79NO8
Exact Mass 809.580568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVGGocJ25we
Name (2E,2'E,2''E,2'''E)-Tetrakis(2-ethylhexyl)-3,3',3'',3'''-(1-methyl-1H-pyrrole-2,3,4,5-tetrayl)tetraacrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H79NO8
InChI InChI=1S/C49H79NO8/c1-10-18-22-38(14-5)34-55-46(51)30-26-42-43(27-31-47(52)56-35-39(15-6)23-19-11-2)45(29-33-49(54)58-37-41(17-8)25-21-13-4)50(9)44(42)28-32-48(53)57-36-40(16-7)24-20-12-3/h26-33,38-41H,10-25,34-37H2,1-9H3/b30-26+,31-27+,32-28+,33-29+
InChIKey KMWDVOVNSQCRRH-SISLMFCMSA-N
Literature Reference DOI 10.1002/adsc.201200057
Molecular Weight 810.170 g/mol
SMILES C[n]1c(\C=C\C(OCC(CCCC)CC)=O)c(c(c1\C=C\C(OCC(CCCC)CC)=O)\C=C\C(=O)OCC(CCCC)CC)\C=C\C(=O)OCC(CCCC)CC
SPLASH splash10-0a4l-9000200000-747c568469984cc14bc9
Source of Spectrum ASC-354-1819/SM15-5g
Synonyms (2E,2'E,2''E,2'''E)-tetrakis(2-ethylhexyl) 3,3',3'',3'''-(1-methyl-1H-pyrrole-2,3,4,5-tetrayl)tetraacrylate
Wiley ID 1763142