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Methyl (1E,3E)-p-[4-(9'-phenanthryl)buta-1,3-dien-1-yl]benzoate
SpectraBase Compound ID I1LNzVeNZnd
InChI InChI=1S/C26H20O2/c1-28-26(27)20-16-14-19(15-17-20)8-2-3-9-21-18-22-10-4-5-11-23(22)25-13-7-6-12-24(21)25/h2-18H,1H3/b8-2+,9-3+
InChIKey MRGAUMBTXOCBAN-CPJVMOPCSA-N
Mol Weight 364.44 g/mol
Molecular Formula C26H20O2
Exact Mass 364.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImofXyWwzWx
Name Methyl (1E,3E)-p-[4-(9'-phenanthryl)buta-1,3-dien-1-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20O2
InChI InChI=1S/C26H20O2/c1-28-26(27)20-16-14-19(15-17-20)8-2-3-9-21-18-22-10-4-5-11-23(22)25-13-7-6-12-24(21)25/h2-18H,1H3/b8-2+,9-3+
InChIKey MRGAUMBTXOCBAN-CPJVMOPCSA-N
Literature Reference DOI 10.1002/cmdc.201100065
Molecular Weight 364.444 g/mol
SMILES C(c1ccc(cc1)\C=C\C=C\c1c2ccccc2c2ccccc2c1)(=O)OC
SPLASH splash10-02t9-0039000000-a332b02fda12892b2b1f
Source of Spectrum CMC-6-1526-1526_1
Synonyms Methyl 4-((1E,3E)-4-(phenanthren-9-yl)buta-1,3-dien-1-yl)benzoate
Wiley ID 1771768