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(3E,5E)-6-Cyano-6-ethoxycarbonyl-2,2-dimethylhexa-3,5-dienal
SpectraBase Compound ID JGuGxc3Hvrs
InChI InChI=1S/C12H15NO3/c1-4-16-11(15)10(8-13)6-5-7-12(2,3)9-14/h5-7,9H,4H2,1-3H3/b7-5+,10-6+
InChIKey CZBYGBHZKWDHGI-YLNKAEQOSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XDdiJpcZQP
Name (3E,5E)-6-Cyano-6-ethoxycarbonyl-2,2-dimethylhexa-3,5-dienal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-4-16-11(15)10(8-13)6-5-7-12(2,3)9-14/h5-7,9H,4H2,1-3H3/b7-5+,10-6+
InChIKey CZBYGBHZKWDHGI-YLNKAEQOSA-N
Molecular Weight 221.256 g/mol
SMILES C(\C(C#N)=C\C=C\C(C=O)(C)C)(=O)OCC
SPLASH splash10-0007-6900000000-a31cd7d7baa2056ccd3a
Source of Spectrum F-66-8694-14e
Wiley ID 1684999