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3-Octyloxyphthalonitrile
SpectraBase Compound ID DtDQYCr2hEl
InChI InChI=1S/C16H20N2O/c1-2-3-4-5-6-7-11-19-16-10-8-9-14(12-17)15(16)13-18/h8-10H,2-7,11H2,1H3
InChIKey BNNXUEKOCBROAG-UHFFFAOYSA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7V7sfKOb9O
Name 3-Octyloxyphthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-2-3-4-5-6-7-11-19-16-10-8-9-14(12-17)15(16)13-18/h8-10H,2-7,11H2,1H3
InChIKey BNNXUEKOCBROAG-UHFFFAOYSA-N
Molecular Weight 256.349 g/mol
SMILES C(c1c(C#N)c(ccc1)OCCCCCCCC)#N
SPLASH splash10-0ab9-9020000000-635466f6bffa3f837d5a
Source of Spectrum CV-2005-1145-2
Wiley ID 1611678