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4-Chloro-2-methylenebutanenitrile
SpectraBase Compound ID Ep7uEzLcGJC
InChI InChI=1S/C5H6ClN/c1-5(4-7)2-3-6/h1-3H2
InChIKey WBNAEBMZGYQKSF-UHFFFAOYSA-N
Mol Weight 115.56 g/mol
Molecular Formula C5H6ClN
Exact Mass 115.018877 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXtCe6KKLtl
Name 4-Chloro-2-methylenebutanenitrile
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 115.018876897 u
Formula C5H6ClN
InChI InChI=1S/C5H6ClN/c1-5(4-7)2-3-6/h1-3H2
InChIKey WBNAEBMZGYQKSF-UHFFFAOYSA-N
Instrument Name Agilent 7820A
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201808598
Molecular Weight 115.563 g/mol
Quality 207
SMILES C(Cl)CC(C#N)=C
SPLASH splash10-000i-9000000000-5415ccee8ab0b2033aa9
Source of Spectrum ACI-57-SM10-1c (DOI: 10.1002/anie.201808598)
Thin-Layer Chromatography 0.25 (10% Et2O/pentane, KMnO4 stain)
Wiley ID 1893584