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4-Pentenoic acid, 5-(2,3,6,7-tetramethoxy-9-phenanthrenyl)-, ethyl ester
SpectraBase Compound ID AvOAiv0CtEP
InChI InChI=1S/C25H28O6/c1-6-31-25(26)10-8-7-9-16-11-17-12-21(27-2)22(28-3)14-19(17)20-15-24(30-5)23(29-4)13-18(16)20/h7,9,11-15H,6,8,10H2,1-5H3/b9-7+
InChIKey ANVFKYQNRYAKQZ-VQHVLOKHSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIGibfGGPCs
Name 4-Pentenoic acid, 5-(2,3,6,7-tetramethoxy-9-phenanthrenyl)-, ethyl ester
CAS Registry Number 79476-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-6-31-25(26)10-8-7-9-16-11-17-12-21(27-2)22(28-3)14-19(17)20-15-24(30-5)23(29-4)13-18(16)20/h7,9,11-15H,6,8,10H2,1-5H3/b9-7+
InChIKey ANVFKYQNRYAKQZ-VQHVLOKHSA-N
Molecular Weight 424.493 g/mol
SMILES c12c3c(cc(c(c3)OC)OC)cc(c1cc(c(c2)OC)OC)\C=C\CCC(=O)OCC
SPLASH splash10-00di-0001900000-dffc75f9bc38729387cd
Source of Spectrum C-103-6391-0
Synonyms Ethyl (4E)-5-(2,3,6,7-tetramethoxy-9-phenanthryl)-4-pentenoate Ethyl-5-(2,3,6,7-tetramethoxy-9-phenanthrenyl)-4-pentenoate
Wiley ID 1379351