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OWISXYQFTOYGRO-UHFFFAOYSA-N
SpectraBase Compound ID LdLbGN0wvTx
InChI InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3
InChIKey OWISXYQFTOYGRO-UHFFFAOYSA-N
Mol Weight 131.18 g/mol
Molecular Formula C9H9N
Exact Mass 131.073499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MZuhemzlo4
Name Benzonitrile, 3,4-dimethyl-
Alternate Name(s) 1,2-Dimethyl-4-cyanobenzene 3,4-Dimethylbenzenecarbonitrile 3,4-Dimethylbenzoic acid nitrile 3,4-Dimethylbenzonitrile BRN 0970523 EINECS 245-293-8
CAS Registry Number 22884-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N
InChI InChI=1S/C9H9N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,1-2H3
InChIKey OWISXYQFTOYGRO-UHFFFAOYSA-N
Molecular Weight 131.178 g/mol
SMILES Cc1ccc(cc1C)C#N
SPLASH splash10-0159-4900000000-503a0a68861730da1810
Source of Spectrum W6-4453-0-0
Wiley ID 81724