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3,6-Dibutoxyphthalonitrile

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

3,6-Dibutoxyphthalonitrile
SpectraBase Compound ID GVOqIBYlrS3
InChI InChI=1S/C16H20N2O2/c1-3-5-9-19-15-7-8-16(20-10-6-4-2)14(12-18)13(15)11-17/h7-8H,3-6,9-10H2,1-2H3
InChIKey RJFAMAFEWDBSLX-UHFFFAOYSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GDNb1J2EtEQ
Name 3,6-Dibutoxyphthalonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.152477890 u
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-3-5-9-19-15-7-8-16(20-10-6-4-2)14(12-18)13(15)11-17/h7-8H,3-6,9-10H2,1-2H3
InChIKey RJFAMAFEWDBSLX-UHFFFAOYSA-N
Molecular Weight 272.348 g/mol
SMILES C=1(OCCCC)C(=C(C(=CC1)OCCCC)C#N)C#N
Spectrum/Structure Validation Score (Raman) 0.74549