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4-cyano-2,2-dimethylbutyraldehyde
SpectraBase Compound ID JGNoWeChcPg
InChI InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3
InChIKey HKJVKIURQSVEQB-UHFFFAOYSA-N
Mol Weight 125.17 g/mol
Molecular Formula C7H11NO
Exact Mass 125.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KneJwZnnOuU
Name 2,2-Dimethyl-4-cyanobutanal
CAS Registry Number 6140-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO
InChI InChI=1S/C7H11NO/c1-7(2,6-9)4-3-5-8/h6H,3-4H2,1-2H3
InChIKey HKJVKIURQSVEQB-UHFFFAOYSA-N
Molecular Weight 125.171 g/mol
SMILES C(#N)CCC(C=O)(C)C
SPLASH splash10-052f-9000000000-eb4547d5fd8f70eda676
Source of Spectrum IC-118-0-0
Synonyms 4,4-Dimethyl-5-oxidanylidene-pentanenitrile 4,4-Dimethyl-5-oxo-pentanenitrile 5-keto-4,4-dimethyl-valeronitrile Butyraldehyde, 4-cyano-2,2-dimethyl Pentanenitrile, 4,4-dimethyl-5-oxo-
Wiley ID 1129384