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5-(4-Methoxyphenyl)-5-oxopentanenitrile

View entire compound with spectra: 1 MS (GC)

5-(4-Methoxyphenyl)-5-oxopentanenitrile
SpectraBase Compound ID FRjgSDeWAYq
InChI InChI=1S/C12H13NO2/c1-15-11-7-5-10(6-8-11)12(14)4-2-3-9-13/h5-8H,2-4H2,1H3
InChIKey FAMCMYTYCIKYAV-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTx5v6a5pKG
Name 5-(4-Methoxyphenyl)-5-oxopentanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-15-11-7-5-10(6-8-11)12(14)4-2-3-9-13/h5-8H,2-4H2,1H3
InChIKey FAMCMYTYCIKYAV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201204469
Molecular Weight 203.241 g/mol
SMILES c1c(ccc(c1)OC)C(CCCC#N)=O
SPLASH splash10-000i-0920000000-fc46e20908e712438bb8
Source of Spectrum ACI-51-SM7-1c
Wiley ID 1780618