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Pentanenitrile, 4,4-dimethyl-
SpectraBase Compound ID CTGE5rSPxi2
InChI InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h4-5H2,1-3H3
InChIKey VXVUDUCBEZFQGY-UHFFFAOYSA-N
Mol Weight 111.19 g/mol
Molecular Formula C7H13N
Exact Mass 111.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWc8nAib6Jm
Name Pentanenitrile, 4,4-dimethyl-
Alternate Name(s) 4,4-Dimethylpentanenitrile 4,4-Dimethylvaleronitrile
CAS Registry Number 15673-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H13N
InChI InChI=1S/C7H13N/c1-7(2,3)5-4-6-8/h4-5H2,1-3H3
InChIKey VXVUDUCBEZFQGY-UHFFFAOYSA-N
Molecular Weight 111.188 g/mol
SMILES C(CCC(C)(C)C)#N
SPLASH splash10-0a4j-9000000000-20a00603440a229724fc
Source of Spectrum C-117-5971-3
Wiley ID 759080