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m-Tolunitrile
SpectraBase Compound ID AUx5ZDQOU0q
InChI InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChIKey BOHCMQZJWOGWTA-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 FjTn0dDQCxN
Name Benzonitrile, 3-methyl-
CAS Registry Number 620-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
InChIKey BOHCMQZJWOGWTA-UHFFFAOYSA-N
Molecular Weight 117.151 g/mol
SMILES C(#N)c1cc(ccc1)C
SPLASH splash10-014i-9800000000-7bb2368ffc29fee39afa
Source of Spectrum AA-0-443-1
Synonyms 1-Methyl-3-cyanobenzene 3-Cyanotoluene 3-Methylbenzenecarbonitrile 3-Methylbenzonitrile 3-Toluenkarbonitril 3-Tolunitrile m-Cyanotoluene m-Methylbenzonitrile m-Toluenenitrile m-Tolunitrile m-Toluonitrile m-Tolylnitrile m-Tolynitrile meta-Tolunitrile MTN Nitril kyseliny m-toluylove Nitril kyseliny m-toluylove (Czech) AI3-17129 CCRIS 4736 EINECS 210-631-5 NSC 75453
Wiley ID 3702