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4-tert-Butylphthalonitrile

View entire compound with spectra: 5 NMR, 3 FTIR, 1 Raman, and 1 MS (GC)

4-tert-Butylphthalonitrile
SpectraBase Compound ID LBCkYpHIWuf
InChI InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3
InChIKey LOTMIRVNJTVTSU-UHFFFAOYSA-N
Mol Weight 184.24 g/mol
Molecular Formula C12H12N2
Exact Mass 184.100048 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVPgBHu9Bu5
Name 4-tert-Butylphthalonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 423122
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2
InChI InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3
InChIKey LOTMIRVNJTVTSU-UHFFFAOYSA-N
Molecular Weight 184.242 g/mol
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_014297