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1-pyreneacetic acid, ethyl ester

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1-pyreneacetic acid, ethyl ester
SpectraBase Compound ID 4UlLAVgUJaa
InChI InChI=1S/C20H16O2/c1-2-22-18(21)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)20(15)19(13)14/h3-11H,2,12H2,1H3
InChIKey QQGMNTTXACIRLM-UHFFFAOYSA-N
Mol Weight 288.35 g/mol
Molecular Formula C20H16O2
Exact Mass 288.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8wenD481q14
Name 1-PYRENEACETIC ACID, ETHYL ESTER
Source of Sample G. H. Daub, University of New Mexico, Albuquerque, New Mexico
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O2
InChI InChI=1S/C20H16O2/c1-2-22-18(21)12-16-9-8-15-7-6-13-4-3-5-14-10-11-17(16)20(15)19(13)14/h3-11H,2,12H2,1H3
InChIKey QQGMNTTXACIRLM-UHFFFAOYSA-N
Melting Point 66.5-67.5C
Molecular Weight 288.35
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20