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3-({5-[(2-Cyanoethoxy)methyl]-2-phenyl-1,3-dioxan-5-yl}methoxy)propanenitrile

View entire compound with spectra: 1 NMR, and 1 FTIR

3-({5-[(2-Cyanoethoxy)methyl]-2-phenyl-1,3-dioxan-5-yl}methoxy)propanenitrile
SpectraBase Compound ID JrzNwl2BQvX
InChI InChI=1S/C18H22N2O4/c19-8-4-10-21-12-18(13-22-11-5-9-20)14-23-17(24-15-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,10-15H2
InChIKey AEZRMRIGXFRCQX-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40LSFdRWSmn
Name 3-({5-[(2-Cyanoethoxy)methyl]-2-phenyl-1,3-dioxan-5-yl}methoxy)propanenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.157957192 u
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c19-8-4-10-21-12-18(13-22-11-5-9-20)14-23-17(24-15-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,10-15H2
InChIKey AEZRMRIGXFRCQX-UHFFFAOYSA-N
Molecular Weight 330.384 g/mol
SMILES C1=CC(=CC=C1)C1OCC(CO1)(COCCC#N)COCCC#N