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p-Tolunitrile
SpectraBase Compound ID 4VyKFUd5bdC
InChI InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
Mol Weight 117.15 g/mol
Molecular Formula C8H7N
Exact Mass 117.057849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZhK26Xzit5
Name Benzonitrile, 4-methyl-
CAS Registry Number 104-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3
InChIKey VCZNNAKNUVJVGX-UHFFFAOYSA-N
Molecular Weight 117.151 g/mol
SMILES C(#N)c1ccc(cc1)C
SPLASH splash10-014i-6900000000-752bf572f103959c15e1
Source of Spectrum XW-10-1500-0
Synonyms 1-Methyl-4-cyanobenzene 4-Cyanotoluene 4-Methylbenzenecarbonitrile 4-Methylbenzonitrile 4-Methylcyanobenzene 4-Toluenkarbonitril 4-Tolunitrile Nitril kyseliny p-toluylove p-Cyanotoluene p-Methylbenzonitrile p-Toluenenitrile p-Toluic nitrile p-Tolunitril p-Tolunitrile p-Toluonitrile p-Tolylnitrile AI3-14826 CCRIS 4737 EINECS 203-244-8 NSC 70985
Wiley ID 1126137