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1-(4-Cyanophenyl)-4-methylenehex-1-en-3-one
SpectraBase Compound ID 9rh6FTpSIRS
InChI InChI=1S/C14H13NO/c1-3-11(2)14(16)9-8-12-4-6-13(10-15)7-5-12/h4-9H,2-3H2,1H3/b9-8+
InChIKey SXGULPOQDBFXIQ-CMDGGOBGSA-N
Mol Weight 211.26 g/mol
Molecular Formula C14H13NO
Exact Mass 211.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoAhx0RFo7W
Name 1-(4-Cyanophenyl)-4-methylenehex-1-en-3-one
Alternate Name(s) 4-[(1E)-4-ethyl-3-oxo-1,4-pentadienyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO
InChI InChI=1S/C14H13NO/c1-3-11(2)14(16)9-8-12-4-6-13(10-15)7-5-12/h4-9H,2-3H2,1H3/b9-8+
InChIKey SXGULPOQDBFXIQ-CMDGGOBGSA-N
Molecular Weight 211.264 g/mol
SMILES C(\C=C\c1ccc(cc1)C#N)(C(CC)=C)=O
SPLASH splash10-0bvi-0930000000-55b0c7b44903bfce5f22
Source of Spectrum QE-12-9091-3
Wiley ID 1587417