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3-(3,4-Dimethylphenyl)acrylonitrile
SpectraBase Compound ID 73Qn1OyhuYc
InChI InChI=1S/C11H11N/c1-9-5-6-11(4-3-7-12)8-10(9)2/h3-6,8H,1-2H3
InChIKey FSWZNLXVXQHXPY-UHFFFAOYSA-N
Mol Weight 157.22 g/mol
Molecular Formula C11H11N
Exact Mass 157.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9S4WYX7NxMP
Name 3-(3,4-Dimethylphenyl)acrylonitrile
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N
InChI InChI=1S/C11H11N/c1-9-5-6-11(4-3-7-12)8-10(9)2/h3-6,8H,1-2H3
InChIKey FSWZNLXVXQHXPY-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 157.216 g/mol
Reported Formula C11H11N
SMILES Cc1c(cc(cc1)C=CC#N)C
SPLASH splash10-0a4l-0900000000-4d362caa8544badf8950
Sample Comments E/Z = 79:21
Source of Spectrum ACI-60-SM52-5b
Wiley ID 1880403