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Methyl azupyrene-1-carboxylate
SpectraBase Compound ID Lwkyoox0BK9
InChI InChI=1S/C18H12O2/c1-20-18(19)15-10-13-6-2-4-11-8-9-12-5-3-7-14(15)17(13)16(11)12/h2-10H,1H3
InChIKey JBPQBHDFRMTVJE-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C18H12O2
Exact Mass 260.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UMrh0LC9OX
Name Methyl azupyrene-1-carboxylate
Alternate Name(s) Methyl dicyclopenta[ef,kl]heptalene-1-carboxylate
CAS Registry Number 111794-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12O2
InChI InChI=1S/C18H12O2/c1-20-18(19)15-10-13-6-2-4-11-8-9-12-5-3-7-14(15)17(13)16(11)12/h2-10H,1H3
InChIKey JBPQBHDFRMTVJE-UHFFFAOYSA-N
Molecular Weight 260.292 g/mol
SMILES c12c3c(C(=O)OC)cc2cccc2c1c(cc2)ccc3
SPLASH splash10-03di-0090000000-3065a5b05e7f5629b88f
Source of Spectrum J-53-356-14
Wiley ID 1264237