2-(Cyclopropylcarbonyl)-3-(4-methylphenyl)acrylonitrile

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Systematic / IUPAC Name: (2E)-2-(Cyclopropylcarbonyl)-3-(4-methylphenyl)acrylonitrile

ID: Reference4073

Other Names: Cyclopropanepropanenitrile, α-[(4-methylphenyl)methylene]-β-oxo-, (αE)-

Formula: C14H13NO

Spectral Data

2-(Cyclopropylcarbonyl)-3-(4-methylphenyl)acrylonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 214
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 8:22:18 AM
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Identificators

InChI InChI=1S/C14H13NO/c1-10-2-4-11(5-3-10)8-13(9-15)14(16)12-6-7-12/h2-5,8,12H,6-7H2,1H3/b13-8+
InChI Key AEVVNPXEILMRIT-MDWZMJQESA-N
Canonical SMILES CC1=CC=C(C=C1)C=C(C#N)C(=O)C2CC2
CAS
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Other Names Cyclopropanepropanenitrile, α-[(4-methylphenyl)methylene]-β-oxo-, (αE)-

In Other Databases

ChemSpider 4652601
PubChem 5715378