Debug Info

object
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_id
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C5ubVT6ZmV7
spectrumID
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C5ubVT6ZmV7
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Mass Spectrum (GC)
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5-Chloro-2-(pyrimidin-2-yl)benzonitrile
SpectraBase Compound ID L3rW3BpnPAu
InChI InChI=1S/C11H6ClN3/c12-9-2-3-10(8(6-9)7-13)11-14-4-1-5-15-11/h1-6H
InChIKey OUSJGWUVMHBRMM-UHFFFAOYSA-N
Mol Weight 215.64 g/mol
Molecular Formula C11H6ClN3
Exact Mass 215.025025 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5ubVT6ZmV7
Name 5-Chloro-2-pyrimidin-2-yl-benzonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6ClN3
InChI InChI=1S/C11H6ClN3/c12-9-2-3-10(8(6-9)7-13)11-14-4-1-5-15-11/h1-6H
InChIKey OUSJGWUVMHBRMM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500087g
Molecular Weight 215.643 g/mol
SMILES c1cnc(-c2ccc(cc2C#N)Cl)nc1
SPLASH splash10-03xr-0950000000-7d3ae521dbaa2f4d10e0
Source of Spectrum J-79-3233-2e
Synonyms 5-Chloro-2-(pyrimidin-2-yl)benzonitrile
Wiley ID 1746130
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