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3-Methylindole
SpectraBase Compound ID EEBKHVEub9F
InChI InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChIKey ZFRKQXVRDFCRJG-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GXFshYiwUvs
Name 3-Methylindole
Acquisition Mode SIMULTANEOUS
CAS Registry Number 83-34-1
ChEBI ID 9171
Comments Saturated 3-methylindole - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9 H9 N
IUPAC Name 3-methyl-1H-indole
InChI InChI=1S/C9H9N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6,10H,1H3
InChIKey ZFRKQXVRDFCRJG-UHFFFAOYSA-N
KEGG Compound ID C08313
PubChem Compound ID 6736
SMILES CC1=CNC2=CC=CC=C12
Source File Reference bmse000516