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2-Butyl-2-methyloctanenitrile

View entire compound with spectra: 1 MS (GC)

2-Butyl-2-methyloctanenitrile
SpectraBase Compound ID FzoMprwqJK4
InChI InChI=1S/C13H25N/c1-4-6-8-9-11-13(3,12-14)10-7-5-2/h4-11H2,1-3H3
InChIKey BLFPCXXVMAPNCY-UHFFFAOYSA-N
Mol Weight 195.35 g/mol
Molecular Formula C13H25N
Exact Mass 195.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPDu5V51lMM
Name 2-Butyl-2-methyloctanenitrile
CAS Registry Number 79568-45-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H25N
InChI InChI=1S/C13H25N/c1-4-6-8-9-11-13(3,12-14)10-7-5-2/h4-11H2,1-3H3
InChIKey BLFPCXXVMAPNCY-UHFFFAOYSA-N
Molecular Weight 195.350 g/mol
SMILES C(#N)C(CCCCCC)(CCCC)C
SPLASH splash10-016r-9600000000-4f38a39fa120629b7330
Source of Spectrum F-39-964-0
Synonyms 2-Butyl-2-methyl-octanenitrile
Wiley ID 1192279