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5-Methylindole

View entire compound with spectra: 32 NMR, 6 FTIR, 2 Raman, and 12 MS (GC)

5-Methylindole
SpectraBase Compound ID 5J1auA2DS13
InChI InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChIKey YPKBCLZFIYBSHK-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPthwUlY1Um
Name 5-Methyl-indole
CAS Registry Number 614-96-0
Comments REASSIGNED 4->3,5->4,9->5,3->7,9->8,7->9 MGr.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H9N
InChI InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3
InChIKey YPKBCLZFIYBSHK-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference M.S. Morales-Rios, P. Joseph-Nathan, Magn. Res. Chem. 27, 1039 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3