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4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile

View entire compound with spectra: 3 MS (GC)

4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile
SpectraBase Compound ID FFFN6BT5Lp8
InChI InChI=1S/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3
InChIKey ZCZHIMLDHBRGMF-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9294h0gutks
Name BENZONITRILE, 4-(5-BUTYL-1,3-DIOXAN-2-YL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3
InChIKey ZCZHIMLDHBRGMF-UHFFFAOYSA-N
Molecular Weight 245.1411
SMILES C(#N)c1ccc(C2OCC(CCCC)CO2)cc1
SPLASH splash10-053u-9200000000-c56dfd597cea8b59587b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany