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6-Cyanonaphthalene-2-carboxylic acid, 4-butylphenyl ester
SpectraBase Compound ID 9MItpthxcYf
InChI InChI=1S/C22H19NO2/c1-2-3-4-16-6-11-21(12-7-16)25-22(24)20-10-9-18-13-17(15-23)5-8-19(18)14-20/h5-14H,2-4H2,1H3
InChIKey RIVULNSIYHPHFH-UHFFFAOYSA-N
Mol Weight 329.4 g/mol
Molecular Formula C22H19NO2
Exact Mass 329.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYr3m6lQv9i
Name 6-Cyanonaphthalene-2-carboxylic acid, 4-butylphenyl ester
Alternate Name(s) (4-butylphenyl) 6-cyanonaphthalene-2-carboxylate 4-Butylphenyl 6-cyano-2-naphthoate 6-cyano-2-naphthalenecarboxylic acid (4-butylphenyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19NO2
InChI InChI=1S/C22H19NO2/c1-2-3-4-16-6-11-21(12-7-16)25-22(24)20-10-9-18-13-17(15-23)5-8-19(18)14-20/h5-14H,2-4H2,1H3
InChIKey RIVULNSIYHPHFH-UHFFFAOYSA-N
Molecular Weight 329.399 g/mol
SMILES c1cc(OC(c2ccc3c(ccc(C#N)c3)c2)=O)ccc1CCCC
SPLASH splash10-001i-2900000000-c6156d040149c5e6ee14
Wiley ID 1483599