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2-(3,4-Dioxymethylenphenyl)-2-(piperidin-1-yl)acetonitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-(3,4-Dioxymethylenphenyl)-2-(piperidin-1-yl)acetonitrile
SpectraBase Compound ID GEdbAuYvhxz
InChI InChI=1S/C14H16N2O2/c15-9-12(16-6-2-1-3-7-16)11-4-5-13-14(8-11)18-10-17-13/h4-5,8,12H,1-3,6-7,10H2
InChIKey PBEUPNPDTAMXSG-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID dExwsuGJyc
Name 2-(3,4-Dioxymethylenphenyl)-2-(piperidin-1-yl)acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.121177761 u
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c15-9-12(16-6-2-1-3-7-16)11-4-5-13-14(8-11)18-10-17-13/h4-5,8,12H,1-3,6-7,10H2
InChIKey PBEUPNPDTAMXSG-UHFFFAOYSA-N
Molecular Weight 244.294 g/mol
SMILES C(N1CCCCC1)(C=1C=C2OCOC2=CC1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93766