Debug Info

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JJi98HxUFJU
spectrumID
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JJi98HxUFJU
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1-Methyl-6-(4-methylpyrimidin-2-yl)-1H-indole
SpectraBase Compound ID 3tfXuKqki70
InChI InChI=1S/C14H13N3/c1-10-5-7-15-14(16-10)12-4-3-11-6-8-17(2)13(11)9-12/h3-9H,1-2H3
InChIKey QIOSRNWMWRQEHL-UHFFFAOYSA-N
Mol Weight 223.28 g/mol
Molecular Formula C14H13N3
Exact Mass 223.110947 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJi98HxUFJU
Name 1-Methyl-6-(4-methylpyrimidin-2-yl)-1H-indole
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.110947431 u
Formula C14H13N3
InChI InChI=1S/C14H13N3/c1-10-5-7-15-14(16-10)12-4-3-11-6-8-17(2)13(11)9-12/h3-9H,1-2H3
InChIKey QIOSRNWMWRQEHL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201610324
Molecular Weight 223.279 g/mol
Quality 36
SMILES C1=CN=C(N=C1C)C1=CC2=C(C=C1)C=CN2C
SPLASH splash10-00di-0190000000-bdaa934629433673350d
Source of Spectrum ACI-56-SM19-5a (DOI: 10.1002/anie.201610324)
Wiley ID 1892835
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