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5-(4-Formylphenyl)pentanenitrile
SpectraBase Compound ID CJuVDJ8Hmn2
InChI InChI=1S/C12H13NO/c13-9-3-1-2-4-11-5-7-12(10-14)8-6-11/h5-8,10H,1-4H2
InChIKey OSNGBRGGQWSSQX-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdCnfmjld1f
Name 5-(4-Formylphenyl)pentanenitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c13-9-3-1-2-4-11-5-7-12(10-14)8-6-11/h5-8,10H,1-4H2
InChIKey OSNGBRGGQWSSQX-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202101571
Molecular Weight 187.242 g/mol
Reported Formula C12H14NO
SMILES C(=O)c1ccc(cc1)CCCCC#N
SPLASH splash10-00lf-4900000000-50561da3c3dceb4e5cc1
Source of Spectrum ACI-60-SM18-36
Wiley ID 1880344