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3-Ethoxy-6-(p-cyanobenzyl)cyclohex-2-en-1-one
SpectraBase Compound ID JXwVIIsUuZM
InChI InChI=1S/C16H17NO2/c1-2-19-15-8-7-14(16(18)10-15)9-12-3-5-13(11-17)6-4-12/h3-6,10,14H,2,7-9H2,1H3
InChIKey RDJDMKONGGIPJV-UHFFFAOYSA-N
Mol Weight 255.32 g/mol
Molecular Formula C16H17NO2
Exact Mass 255.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBGSR93H8v9
Name 3-Ethoxy-6-(p-cyanobenzyl)cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO2
InChI InChI=1S/C16H17NO2/c1-2-19-15-8-7-14(16(18)10-15)9-12-3-5-13(11-17)6-4-12/h3-6,10,14H,2,7-9H2,1H3
InChIKey RDJDMKONGGIPJV-UHFFFAOYSA-N
Molecular Weight 255.317 g/mol
SMILES C=1C(C(Cc2ccc(C#N)cc2)CCC1OCC)=O
SPLASH splash10-0bti-0950000000-f46d11a99c578c90255c
Source of Spectrum F-54-6439-21
Synonyms 4-[(4-ethoxy-2-oxo-3-cyclohexen-1-yl)methyl]benzonitrile
Wiley ID 807445