Debug Info

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LLNc2xIaIpp
spectrumID
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LLNc2xIaIpp
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Mass Spectrum (GC)
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3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzonitrile
SpectraBase Compound ID 3zcenUasFwh
InChI InChI=1S/C13H12N2/c1-10-6-7-11(2)15(10)13-5-3-4-12(8-13)9-14/h3-8H,1-2H3
InChIKey NBJROBAUWGQJGQ-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C13H12N2
Exact Mass 196.100048 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLNc2xIaIpp
Name 3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2
InChI InChI=1S/C13H12N2/c1-10-6-7-11(2)15(10)13-5-3-4-12(8-13)9-14/h3-8H,1-2H3
InChIKey NBJROBAUWGQJGQ-UHFFFAOYSA-N
Molecular Weight 196.253 g/mol
SMILES c1(-[n]2c(ccc2C)C)cc(C#N)ccc1
SPLASH splash10-0002-0900000000-c659d4720f5400bdf8c1
Source of Spectrum F-69-6705-20
Synonyms 3-(2,5-dimethyl-1-pyrrolyl)benzonitrile 3-(2,5-dimethylpyrrol-1-yl)benzenecarbonitrile
Wiley ID 1738425
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