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4,4,4-Trichloro-butyronitrile

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4,4,4-Trichloro-butyronitrile
SpectraBase Compound ID 8rm4m5DyTcy
InChI InChI=1S/C4H4Cl3N/c5-4(6,7)2-1-3-8/h1-2H2
InChIKey IPZCMPDVAFFIID-UHFFFAOYSA-N
Mol Weight 172.44 g/mol
Molecular Formula C4H4Cl3N
Exact Mass 170.940932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSmJJf5Mxdm
Name 4,4,4-Trichloro-butyronitrile
CAS Registry Number 19376-56-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C4H4Cl3N
InChI InChI=1S/C4H4Cl3N/c5-4(6,7)2-1-3-8/h1-2H2
InChIKey IPZCMPDVAFFIID-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference F.K. Velichko, V.I. Dostovalova, Org. Magn. Resonance 7, 46 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3