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Isoquinoline
SpectraBase Compound ID CEvmZr1lIK2
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
Mol Weight 129.16 g/mol
Molecular Formula C9H7N
Exact Mass 129.057849 g/mol
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Technique Film
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Technique Neat
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Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
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Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
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Source of Spectrum SO-1974-289-3
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Source of Spectrum X-11-399-2
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Source of Spectrum ACI-58-SM13-13-b
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Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
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Solvent CDCl3
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Solvent CDCl3
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Catalog Number I28208
  • Benzo[c]pyridine
  • 2-Benzanine
  • Isochinolin
  • ISOQUINOLIN
  • AWJUIBRHMBBTKR-UHFFFAOYSA-N
  • 2-Benzazine
  • 2-Azanaphthalene
  • 3,4-Benzopyridine
  • QUINOLINE(ISO)
  • Benzopyridine
  • Leucoline
  • .beta.-Quinoline
  • CCRIS 5752
  • FEMA NO. 2978
  • EINECS 204-341-8
  • NSC 3395
  • AI3-10035
Title Journal or Book Year
On the accuracy of the GIAO-DFT calculation of15N NMR chemical shifts of the nitrogen-containing heterocycles - a gateway to better agreement with experiment at lower computational cost Magnetic Resonance in Chemistry 2014
NMR spectra of nitrogen-containing compounds. Correlations between experimental and GIAO calculated data Magnetic Resonance in Chemistry 1999
15N NMR spectroscopy of some azines Organic Magnetic Resonance 1984
Chemistry of 6H-pyrido [4, 3-b] carbazoles. Part 10—Carbon-13 nuclear magnetic resonance spectra of ellipticines and some model compounds Organic Magnetic Resonance 1982
Carbon-13 NMR studies of quinolines and isoquinolines. II. Chlorine-nitrogen interactions andN-oxide effects Organic Magnetic Resonance 1978
Carbon-13 n.m.r. studies of methylquinolines and methylisoquinolines Organic Magnetic Resonance 1977
Carbon-13 magnetic resonance. XIV. Aza-analogs of polycyclic aromatic hydrocarbons Journal of the American Chemical Society 1969

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Wiley Registry of Mass Spectral Data 2026

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