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4,5-Bis(2-ethoxyethoxy)phthalonitrile

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

4,5-Bis(2-ethoxyethoxy)phthalonitrile
SpectraBase Compound ID 3wxnSh5iEEN
InChI InChI=1S/C16H20N2O4/c1-3-19-5-7-21-15-9-13(11-17)14(12-18)10-16(15)22-8-6-20-4-2/h9-10H,3-8H2,1-2H3
InChIKey UZCIFLACMSSOTK-UHFFFAOYSA-N
Mol Weight 304.35 g/mol
Molecular Formula C16H20N2O4
Exact Mass 304.142307 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6FORVkCewSK
Name 4,5-bis(2-Ethoxyethoxy)phthalonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.142307128 u
Formula C16H20N2O4
InChI InChI=1S/C16H20N2O4/c1-3-19-5-7-21-15-9-13(11-17)14(12-18)10-16(15)22-8-6-20-4-2/h9-10H,3-8H2,1-2H3
InChIKey UZCIFLACMSSOTK-UHFFFAOYSA-N
Molecular Weight 304.346 g/mol
SMILES C=1(C(C#N)=CC(=C(C1)OCCOCC)OCCOCC)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948554