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3-Methyl-4-(4-cyanophenyl)buta-1,2-diene
SpectraBase Compound ID LZYyfRPIPlk
InChI InChI=1S/C12H11N/c1-3-10(2)8-11-4-6-12(9-13)7-5-11/h4-7H,1,8H2,2H3
InChIKey MDAFCGATAAJVAN-UHFFFAOYSA-N
Mol Weight 169.23 g/mol
Molecular Formula C12H11N
Exact Mass 169.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fTT48ZHmVK
Name 3-Methyl-4-(4-cyanophenyl)buta-1,2-diene
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 169.089149358 u
Formula C12H11N
InChI InChI=1S/C12H11N/c1-3-10(2)8-11-4-6-12(9-13)7-5-11/h4-7H,1,8H2,2H3
InChIKey MDAFCGATAAJVAN-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201211
Molecular Weight 169.227 g/mol
Quality 252
Reported Formula C12H11N
SMILES CC(=C=C)CC1=CC=C(C=C1)C#N
SPLASH splash10-0uxr-0900000000-ad8d12996d646b6f7403
Source of Spectrum ASC-365-SM28-2g (DOI: 10.1002/adsc.202201211)
Wiley ID 1902723