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4-(2,4-di-tert-pentylphenoxy)butyronitrile
SpectraBase Compound ID JzqQbIeLKxQ
InChI InChI=1S/C20H31NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,14H2,1-6H3
InChIKey JEWCXPGDBLFXNE-UHFFFAOYSA-N
Mol Weight 301.47 g/mol
Molecular Formula C20H31NO
Exact Mass 301.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3c1Ka1Uq8W
Name 4-(2,4-Ditertiaryamylphenoxy)butyronitrile
Alternate Name(s) 4-(2,4-di-tert-pentylphenoxy)butanenitrile 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanenitrile 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanenitrile
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Formula C20H31NO
InChI InChI=1S/C20H31NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,14H2,1-6H3
InChIKey JEWCXPGDBLFXNE-UHFFFAOYSA-N
Molecular Weight 301.474 g/mol
SMILES C(CCCOc1c(cc(cc1)C(CC)(C)C)C(CC)(C)C)#N
SPLASH splash10-0fk9-4092000000-8378cd1f6fae976fcc55
Source of Spectrum JX-2015-6-12408
Wiley ID 1731255