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3,4,5,6-Tetrakis(neopentoxy)phthalonitrile
SpectraBase Compound ID HS85fDTk2Rm
InChI InChI=1S/C28H44N2O4/c1-25(2,3)15-31-21-19(13-29)20(14-30)22(32-16-26(4,5)6)24(34-18-28(10,11)12)23(21)33-17-27(7,8)9/h15-18H2,1-12H3
InChIKey CBPFVVYYCHIKNF-UHFFFAOYSA-N
Mol Weight 472.7 g/mol
Molecular Formula C28H44N2O4
Exact Mass 472.330108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQrT5J1nzfd
Name 3,4,5,6-Tetrakis(neopentoxy)phthalonitrile
Alternate Name(s) 3,4,5,6-Tetrakis(neopentyloxy)phthalonitrile 3,4,5,6-tetrakis(2,2-dimethylpropoxy)phthalonitrile 3,4,5,6-tetrakis(2,2-dimethylpropoxy)benzene-1,2-dicarbonitrile
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Formula C28H44N2O4
InChI InChI=1S/C28H44N2O4/c1-25(2,3)15-31-21-19(13-29)20(14-30)22(32-16-26(4,5)6)24(34-18-28(10,11)12)23(21)33-17-27(7,8)9/h15-18H2,1-12H3
InChIKey CBPFVVYYCHIKNF-UHFFFAOYSA-N
Molecular Weight 472.670 g/mol
SMILES c1(c(c(OCC(C)(C)C)c(c(c1OCC(C)(C)C)C#N)C#N)OCC(C)(C)C)OCC(C)(C)C
SPLASH splash10-03di-0094000000-5806db1fe3e350a745f4
Source of Spectrum I-80-146-5
Wiley ID 1517189