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3-Isoquinolinecarbonitrile

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-Isoquinolinecarbonitrile
SpectraBase Compound ID LJKM8k0Uz1R
InChI InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChIKey GXXBVBVNGMCFIU-UHFFFAOYSA-N
Mol Weight 154.17 g/mol
Molecular Formula C10H6N2
Exact Mass 154.053098 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 914DZHQDIRJ
Name 3-Isoquinolinecarbonitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 338532
CAS Registry Number 26947-41-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6N2
InChI InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H
InChIKey GXXBVBVNGMCFIU-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006934