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4,4-dimethyl-3-oxovaleronitrile

View entire compound with spectra: 7 NMR, 5 FTIR, and 2 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6D5XtJ2pOdS
Name 4,4-Dimethyl-3-oxopentanenitrile
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 262382
CAS Registry Number 59997-51-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Pivaloylacetonitrile
Wiley ID SIAL_13CNMR_004706