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o-Tolunitrile
SpectraBase Compound ID 6TKplaQoO9G
InChI InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChIKey NWPNXBQSRGKSJB-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 125oIm247A0
Name Benzonitrile, 2-methyl-
Alternate Name(s) 1-Methyl-2-cyanobenzene 2-Cyanotoluene 2-Methylbenzenecarbonitrile 2-Methylbenzonitrile 2-Toluenkarbonitril 2-Tolunitrile o-Cyanotoluene o-Methylbenzonitrile o-Toluic nitrile o-Tolunitrile o-Toluonitrile o-Tolylnitrile AI3-17128 CCRIS 1286 EINECS 208-451-7 NSC 66549
CAS Registry Number 529-19-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N
InChI InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3
InChIKey NWPNXBQSRGKSJB-UHFFFAOYSA-N
Molecular Weight 117.151 g/mol
SMILES C(#N)c1c(cccc1)C
SPLASH splash10-014r-9300000000-6cf5181827388e95f745
Source of Spectrum XW-300-0-0
Wiley ID 69847