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Indole
SpectraBase Compound ID BGv5NPMT2gH
InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey SIKJAQJRHWYJAI-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lX774HAqFE
Name Indole
CAS Registry Number 120-72-9
Classification Designer drug precursor
Comments Spectrum verified by crosschecking against external libraries (five 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 117.057849229 u
Formula C8H7N
InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey SIKJAQJRHWYJAI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 117.151 g/mol
Nominal Mass 117 u
Quality 988
Retention Index 1276
SMILES C=12C(C=CN2)=CC=CC1
SPLASH splash10-014i-9600000000-81f71d7741b37dc7cbc8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,3-Benzopyrrole 1H-Indole
Technique GC/MS
Wiley ID DD2024_001720