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3,6-Bis(3-phenylpropoxy)phthalonitrile
SpectraBase Compound ID 1JBxKGRDA3Z
InChI InChI=1S/C26H24N2O2/c27-19-23-24(20-28)26(30-18-8-14-22-11-5-2-6-12-22)16-15-25(23)29-17-7-13-21-9-3-1-4-10-21/h1-6,9-12,15-16H,7-8,13-14,17-18H2
InChIKey UXPLFPWOBQFNCQ-UHFFFAOYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C26H24N2O2
Exact Mass 396.183778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgQGzf93Uyu
Name 3,6-Bis(3-phenylpropoxy)phthalonitrile
Alternate Name(s) 3,6-bis(3-phenylpropoxy)benzene-1,2-dicarbonitrile Benzene-1,2-dicarbonitrile, 3,6-bis(3-phenylpropoxy)-
CAS Registry Number 116453-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O2
InChI InChI=1S/C26H24N2O2/c27-19-23-24(20-28)26(30-18-8-14-22-11-5-2-6-12-22)16-15-25(23)29-17-7-13-21-9-3-1-4-10-21/h1-6,9-12,15-16H,7-8,13-14,17-18H2
InChIKey UXPLFPWOBQFNCQ-UHFFFAOYSA-N
Molecular Weight 396.490 g/mol
SMILES c1(c(C#N)c(OCCCc2ccccc2)ccc1OCCCc1ccccc1)C#N
SPLASH splash10-00kf-9400000000-ce4863031ff3c5947167
Source of Spectrum AD-0-2532-0
Wiley ID 1419801