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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 26aBUGijohJ
Name 4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile
Alternate Name(s) 4-(5-butyl-1,3-dioxan-2-yl)benzenecarbonitrile Benzonitrile, 4-(5-butyl-1,3-dioxan-2-yl)-
CAS Registry Number 74240-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 245.322 g/mol
SMILES c1c(ccc(C#N)c1)C1OCC(CCCC)CO1
SPLASH splash10-053u-9310000000-3c624c83a55387993a07
Source of Spectrum O-26-278-10
Wiley ID 1248146