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4-Benzyl-2-methyl-2,3-allenenitrile
SpectraBase Compound ID 4fDwnhT2PRx
InChI InChI=1S/C12H11N/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-5,7-8H,9H2,1H3
InChIKey LXCWCENPQOYDRO-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 JkOFLZyj8HA
Name 4-Benzyl-2-methyl-2,3-allenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N
InChI InChI=1S/C12H11N/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-5,7-8H,9H2,1H3
InChIKey LXCWCENPQOYDRO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500228z
Molecular Weight 169.227 g/mol
SMILES C(=C=C(C#N)C)Cc1ccccc1
SPLASH splash10-0fr6-4900000000-3fb58d827039d19637b2
Source of Spectrum J-79-3107-3e
Synonyms 2-Methyl-5-phenylpenta-2,3-dienenitrile
Wiley ID 1746179