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3-Methyl-4-oxidanyl-4-phenyl-butanenitrile

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

3-Methyl-4-oxidanyl-4-phenyl-butanenitrile
SpectraBase Compound ID 73hRlMWGWht
InChI InChI=1S/C11H13NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3
InChIKey PCYWGIHZFXKGRN-UHFFFAOYSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVPUMEJdiaM
Name 3-Methyl-4-oxidanyl-4-phenyl-butanenitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c1-9(7-8-12)11(13)10-5-3-2-4-6-10/h2-6,9,11,13H,7H2,1H3
InChIKey PCYWGIHZFXKGRN-UHFFFAOYSA-N
Molecular Weight 175.231 g/mol
SMILES OC(C(CC#N)C)c1ccccc1
SPLASH splash10-0a6r-5900000000-11d06edfc08185e7e2e1
Source of Spectrum KC-0-333-0
Synonyms 4-Hydroxy-3-methyl-4-phenyl-butanenitrile 4-Hydroxy-3-methyl-4-phenyl-butyronitrile
Wiley ID 783145