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4,4-Dimethyl-5-oxidanyl-pentanenitrile

View entire compound with spectra: 1 MS (GC)

4,4-Dimethyl-5-oxidanyl-pentanenitrile
SpectraBase Compound ID 3m5wf39sgGK
InChI InChI=1S/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3
InChIKey LPRMANDJSIXLBP-UHFFFAOYSA-N
Mol Weight 127.19 g/mol
Molecular Formula C7H13NO
Exact Mass 127.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6tT2fKL9AE
Name 4,4-Dimethyl-5-oxidanyl-pentanenitrile
Alternate Name(s) 5-Hydroxy-4,4-dimethyl-pentanenitrile 5-Hydroxy-4,4-dimethyl-valeronitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13NO
InChI InChI=1S/C7H13NO/c1-7(2,6-9)4-3-5-8/h9H,3-4,6H2,1-2H3
InChIKey LPRMANDJSIXLBP-UHFFFAOYSA-N
Molecular Weight 127.187 g/mol
SMILES OCC(CCC#N)(C)C
SPLASH splash10-0a4m-9100000000-0c12e00cbd500fb4c9d5
Source of Spectrum IC-127-0-0
Wiley ID 1130714