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

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

2-(3,4-Dioxymethylenphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
SpectraBase Compound ID AgdAY5QjiLS
InChI InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)12(9-15)11-2-3-13-14(8-11)19-10-18-13/h2-3,8,12H,4-7,10H2,1H3
InChIKey QJNKDAPKWVOYBT-UHFFFAOYSA-N
Mol Weight 259.31 g/mol
Molecular Formula C14H17N3O2
Exact Mass 259.132077 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ds4yTk8CjWU
Name 2-(3,4-Dioxymethylenphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.132076797 u
Formula C14H17N3O2
InChI InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)12(9-15)11-2-3-13-14(8-11)19-10-18-13/h2-3,8,12H,4-7,10H2,1H3
InChIKey QJNKDAPKWVOYBT-UHFFFAOYSA-N
Molecular Weight 259.309 g/mol
SMILES C(N1CCN(CC1)C)(C=1C=C2OCOC2=CC1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948996