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o-Tolunitrile

View entire compound with spectra: 21 NMR, 6 FTIR, 1 Raman, 10 MS (GC), and 2 Near IR

o-Tolunitrile
SpectraBase Compound ID 6TKplaQoO9G
InChI InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChIKey NWPNXBQSRGKSJB-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qc4ChWbTLQ
Name O-Tolunitrile
CAS Registry Number 529-19-1
Comments CHEMICAL SHIFTS FROM SAD00513, J.L.MARSHALL,A.M.IHRIG,ORG.MAGN.RESONA
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChIKey NWPNXBQSRGKSJB-UHFFFAOYSA-N
Instrument Name Varian HA-100
Literature Reference J.L. Marshall, A.M. Ihrig, Org. Magn. Resonance 5, 235 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3