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Isoquinoline

View entire compound with spectra: 125 NMR, 11 FTIR, 2 Raman, and 18 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IqZGn54laf1
Name ISOCHINOLIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7N
InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey AWJUIBRHMBBTKR-UHFFFAOYSA-N
Literature Reference Author R.J.PUGMIRE,D.M.GRANT,M.J.ROBINS,R.K.ROBINS
Literature Reference Citation J.AM.CHEM.SOC.,91,6381(1969)
Literature Reference DOI 10.1021/ja01051a034
Molecular Weight 129.161 g/mol
Solvent CDCl3
Source File Reference UNIW3513