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Butanenitrile, 3-chloro-3-methyl-
SpectraBase Compound ID 2tyd5nv2KUa
InChI InChI=1S/C5H8ClN/c1-5(2,6)3-4-7/h3H2,1-2H3
InChIKey GRBSJTYXYMWEME-UHFFFAOYSA-N
Mol Weight 117.58 g/mol
Molecular Formula C5H8ClN
Exact Mass 117.034527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABugsWt3VPx
Name Butanenitrile, 3-chloro-3-methyl-
CAS Registry Number 53897-47-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8ClN
InChI InChI=1S/C5H8ClN/c1-5(2,6)3-4-7/h3H2,1-2H3
InChIKey GRBSJTYXYMWEME-UHFFFAOYSA-N
Molecular Weight 117.579 g/mol
SMILES C(C(C)(C)Cl)C#N
SPLASH splash10-004i-9000000000-b0ba162f80435c6b4a4f
Source of Spectrum AA-0-441-1
Synonyms 3-Chloro-3-methylbutanenitrile 3-Chloranyl-3-methyl-butanenitrile 3-Chloro-3-methylbutyronitrile 3-Chloro-3-methyl-butyronitrile 3-Chloro-3-methyl-butanenitrile
Wiley ID 1126053