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3-Pyrimidin-2-yl-methylbenzonitrile
SpectraBase Compound ID JhtR6Qvi0HO
InChI InChI=1S/C12H9N3/c13-9-11-4-1-3-10(7-11)8-12-14-5-2-6-15-12/h1-7H,8H2
InChIKey ORUUEUDAGDOAFE-UHFFFAOYSA-N
Mol Weight 195.22 g/mol
Molecular Formula C12H9N3
Exact Mass 195.079647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eNfxbOs6rS
Name 3-Pyrimidin-2-yl-methylbenzonitrile
Alternate Name(s) 3-(pyrimidin-2-ylmethyl)benzonitrile 3-(2-Pyrimidinylmethyl)benzonitrile 3-(pyrimidin-2-ylmethyl)benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3
InChI InChI=1S/C12H9N3/c13-9-11-4-1-3-10(7-11)8-12-14-5-2-6-15-12/h1-7H,8H2
InChIKey ORUUEUDAGDOAFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200800161
Molecular Weight 195.225 g/mol
SMILES c1cc(cc(c1)C#N)Cc1ncccn1
SPLASH splash10-0007-0900000000-3d10f50cde17aad1dc13
Source of Spectrum CAJ-3-1690-7r
Wiley ID 1775102