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Methyl 4-cyanotriphenylene-2-carboxylate
SpectraBase Compound ID CmwlKZ96FaL
InChI InChI=1S/C21H13NO2/c1-24-21(23)13-10-14(12-22)20-18-9-5-4-7-16(18)15-6-2-3-8-17(15)19(20)11-13/h2-11H,1H3
InChIKey BXHHISNJSPWOSB-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C21H13NO2
Exact Mass 311.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ypxhngrlTh
Name Methyl 4-cyanotriphenylene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13NO2
InChI InChI=1S/C21H13NO2/c1-24-21(23)13-10-14(12-22)20-18-9-5-4-7-16(18)15-6-2-3-8-17(15)19(20)11-13/h2-11H,1H3
InChIKey BXHHISNJSPWOSB-UHFFFAOYSA-N
Molecular Weight 311.340 g/mol
SMILES c12c(c3ccccc3c3c2cccc3)c(C#N)cc(c1)C(=O)OC
SPLASH splash10-0ik9-0693000000-284a0b509eeb4fc03d1c
Source of Spectrum JA-49-965-0
Synonyms Methyl 4-cyano-2-triphenylenecarboxylate
Wiley ID 1312678