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5-Acetoxy-5-phenylpentanenitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-Acetoxy-5-phenylpentanenitrile
SpectraBase Compound ID 7J5PLljFHB3
InChI InChI=1S/C13H15NO2/c1-11(15)16-13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9H2,1H3
InChIKey PEXCHSVVSJPBIZ-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrLbUtQeNZ
Name 5-Acetoxy-5-phenylpentanenitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-11(15)16-13(9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9H2,1H3
InChIKey PEXCHSVVSJPBIZ-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C(#N)CCCC(OC(=O)C)c1ccccc1
SPLASH splash10-0a4l-6900000000-c04bff3fb54dd0a4548c
Source of Spectrum F-50-5136-3
Synonyms 4-cyano-1-phenylbutyl acetate
Wiley ID 1216725