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(E)-4-Phenyl-2-propylbut-3-enenitrile
SpectraBase Compound ID 1VLesL6vqhH
InChI InChI=1S/C13H15N/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h3-5,7-10,13H,2,6H2,1H3/b10-9+
InChIKey QUHGRJMNMJFSQK-MDZDMXLPSA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hrLY0HPAu
Name (E)-4-Phenyl-2-propylbut-3-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N
InChI InChI=1S/C13H15N/c1-2-6-13(11-14)10-9-12-7-4-3-5-8-12/h3-5,7-10,13H,2,6H2,1H3/b10-9+
InChIKey QUHGRJMNMJFSQK-MDZDMXLPSA-N
Literature Reference DOI 10.1021/ol801752m
Molecular Weight 185.270 g/mol
SMILES c1cc(\C=C\C(C#N)CCC)ccc1
SPLASH splash10-014l-0900000000-d7029e025f7fa0a9ea37
Source of Spectrum A1-10-4549/SMS16-3l
Synonyms (E)-2-styrylpentanenitrile
Wiley ID 1759926