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4-(1-pyrenyl)benzoic acid ethyl ester
SpectraBase Compound ID 4u2LBt3WXUv
InChI InChI=1S/C25H18O2/c1-2-27-25(26)20-10-6-16(7-11-20)21-14-12-19-9-8-17-4-3-5-18-13-15-22(21)24(19)23(17)18/h3-15H,2H2,1H3
InChIKey KZSQYQQDDIZIDD-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C25H18O2
Exact Mass 350.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIrGqAoVeZb
Name 4-(1-pyrenyl)benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18O2
InChI InChI=1S/C25H18O2/c1-2-27-25(26)20-10-6-16(7-11-20)21-14-12-19-9-8-17-4-3-5-18-13-15-22(21)24(19)23(17)18/h3-15H,2H2,1H3
InChIKey KZSQYQQDDIZIDD-UHFFFAOYSA-N
Molecular Weight 350.417 g/mol
SMILES c12c3c4c(cccc4cc2)ccc3ccc1-c1ccc(C(=O)OCC)cc1
SPLASH splash10-0udi-0019000000-6ec6c46f0d20c8b71404
Source of Spectrum K1-2001-3826-5
Synonyms 4-Pyren-1-ylbenzoic acid ethyl ester Ethyl 4-pyren-1-ylbenzoate
Wiley ID 813475