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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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Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
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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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Catalog Number I28208
  • Benzo[c]pyridine
  • 2-Benzanine
  • Isochinolin
  • ISOQUINOLIN
  • AWJUIBRHMBBTKR-UHFFFAOYSA-N
  • 2-AZANAPHTHALENE
  • 2-BENZAZINE
  • QUINOLINE(ISO)
  • 3,4-BENZOPYRIDINE
  • Benzopyridine
Title Journal or Book Year
On the accuracy of the GIAO‐DFT calculation of 15N 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 and N‐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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