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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 G3IscW77chC
Name 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
Alternate Name(s) 4-(5-propyl-1,3-dioxan-2-yl)benzenecarbonitrile Benzonitrile, 4-(5-propyl-1,3-dioxan-2-yl)-, trans- trans-4-(5-propyl-1,3-dioxan-2-yl)benzonitrile EINECS 277-786-9
CAS Registry Number 74240-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 231.295 g/mol
SMILES c1c(ccc(C#N)c1)C1OCC(CCC)CO1
SPLASH splash10-053u-9310000000-e02a7f400f6427c78466
Wiley ID 1476178