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p-Tolunitrile

View entire compound with spectra: 30 NMR, 6 FTIR, 2 Raman, 16 MS (GC), and 2 Near IR

p-Tolunitrile
SpectraBase Compound ID 4VyKFUd5bdC
InChI InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ALBOA44V9X
Name P-Tolunitrile
CAS Registry Number 104-85-8
Comments BRV.HFX-13,DMSO 1.4 M,LOCK:19F COND. FOR 1H COUPL. CONST.:HSO3F-SBFS-SO2:(H+)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference P.S. Pregosin, E.W. Randall, J. Chem. Soc. Perkin II 513 (1972).
NMR Standard CH3NO2
Observed nucleus 15N