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2-Methylindole
SpectraBase Compound ID CQUDiZxAK2N
InChI InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChIKey BHNHHSOHWZKFOX-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnLsf3z9Nwm
Name 2-Methylindole
CAS Registry Number 95-20-5
Classification Pharmaceutical drug precursor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 131.073499294 u
Formula C9H9N
InChI InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3
InChIKey BHNHHSOHWZKFOX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 131.178 g/mol
Nominal Mass 131 u
Quality 989
Retention Index 1344
SMILES C=12C(C=C(N2)C)=CC=CC1
SPLASH splash10-001i-3900000000-1c30abc0c148e2b891c4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1H-Indole,2-methyl 2-Methyl-1H-indole
Technique GC/MS
Wiley ID DD2024_008179