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

View entire compound with spectra: 2 FTIR, 1 Raman, and 3 MS (GC)

4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
SpectraBase Compound ID 1SgX7SwYOjP
InChI InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3
InChIKey GQPFCPRCGONDNN-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RdwYhMDyjM
Name BENZONITRILE, 4-(5-PROPYL-1,3-DIOXAN-2-YL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3
InChIKey GQPFCPRCGONDNN-UHFFFAOYSA-N
Molecular Weight 231.1255
SMILES C(#N)c1ccc(C2OCC(CCC)CO2)cc1
SPLASH splash10-053u-9310000000-2699c6315bc4c834da5c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany