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5-Methoxy-2-pyrimidin-2-yl-benzonitrile
SpectraBase Compound ID Jromvp0Plsh
InChI InChI=1S/C12H9N3O/c1-16-10-3-4-11(9(7-10)8-13)12-14-5-2-6-15-12/h2-7H,1H3
InChIKey ZUISAHXURRDQEW-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C12H9N3O
Exact Mass 211.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkIhkTJ9zE1
Name 5-Methoxy-2-pyrimidin-2-yl-benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O
InChI InChI=1S/C12H9N3O/c1-16-10-3-4-11(9(7-10)8-13)12-14-5-2-6-15-12/h2-7H,1H3
InChIKey ZUISAHXURRDQEW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500087g
Molecular Weight 211.224 g/mol
SMILES c1cnc(-c2c(cc(cc2)OC)C#N)nc1
SPLASH splash10-08fr-0890000000-175f591d49885fd4bcc4
Source of Spectrum J-79-3233-2c
Synonyms 5-Methoxy-2-(pyrimidin-2-yl)benzonitrile
Wiley ID 1746128