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2,4-Dimethylbenzonitrile
SpectraBase Compound ID LKoK9C3F84r
InChI InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3
InChIKey QLZDTHTXOUOSCV-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 8OZpwRawpPX
Name 2,4-Dimethylbenzonitrile
Alternate Name(s) 2,4-Dimethylbenzenecarbonitrile Benzonitrile, 2,4-dimethyl- EINECS 244-580-5
CAS Registry Number 21789-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N
InChI InChI=1S/C9H9N/c1-7-3-4-9(6-10)8(2)5-7/h3-5H,1-2H3
InChIKey QLZDTHTXOUOSCV-UHFFFAOYSA-N
Molecular Weight 131.178 g/mol
SMILES Cc1ccc(C#N)c(C)c1
SPLASH splash10-0159-3900000000-3432d7b199f2fb4b1566
Source of Spectrum W5-1989-6553-1
Wiley ID 1133455