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4,4-dimethyl-3-oxovaleronitrile
SpectraBase Compound ID EI8pKjwNm0v
InChI InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChIKey MXZMACXOMZKYHJ-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 6TxC8n2HHXu
Name 4,4-Dimethyl-3-oxopentanenitrile
CAS Registry Number 59997-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11NO
InChI InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
InChIKey MXZMACXOMZKYHJ-UHFFFAOYSA-N
Molecular Weight 125.171 g/mol
SMILES CC(C(CC#N)=O)(C)C
SPLASH splash10-0a4l-9000000000-1b963fa28fed3259d704
Source of Spectrum NP-0-6080-0
Synonyms 3-keto-4,4-dimethyl-valeronitrile 4,4-Dimethyl-3-oxidanylidene-pentanenitrile 4,4-Dimethyl-3-oxovaleronitrile Pentanenitrile, 4,4-dimethyl-3-oxo- Pivaloylacetonitrile Trimethylacetylacetonitrile Valeronitrile, 4,4-dimethyl-3-oxo- EINECS 262-017-1
Wiley ID 1096416