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4-(5-Pentyl-1,3-dioxan-2-yl)benzonitrile
SpectraBase Compound ID 7NyPDBuw05z
InChI InChI=1S/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3
InChIKey SSXIKUCDZOQOKB-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bj78GVhyzag
Name BENZONITRILE, 4-(5-PENTYL-1,3-DIOXAN-2-YL)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,14,16H,2-5,11-12H2,1H3
InChIKey SSXIKUCDZOQOKB-UHFFFAOYSA-N
Molecular Weight 259.1567
SMILES C(#N)c1ccc(C2OCC(CCCCC)CO2)cc1
SPLASH splash10-052f-9100000000-de21df06183d8b5c81ae
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany