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(E)-4,4,4-TRICHLORO-2-METHYLBUT-2-EN-1-AL
SpectraBase Compound ID 6zAjv8PGIJ8
InChI InChI=1S/C5H5Cl3O/c1-4(3-9)2-5(6,7)8/h2-3H,1H3/b4-2+
InChIKey IOECEDRVEBYOTI-DUXPYHPUSA-N
Mol Weight 187.45 g/mol
Molecular Formula C5H5Cl3O
Exact Mass 185.940598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPvVOiwKBDg
Name (E)-4,4,4-TRICHLORO-2-METHYLBUT-2-EN-1-AL
Comments =
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C5H5Cl3O
InChI InChI=1S/C5H5Cl3O/c1-4(3-9)2-5(6,7)8/h2-3H,1H3/b4-2+
InChIKey IOECEDRVEBYOTI-DUXPYHPUSA-N
Instrument Name Jeol FX-90
Literature Reference V.V.SHEPIN, A.S.RODYGIN, B.Z.PERTSIKOV (1991) Zhurn.Org.Khim.(Russ. Lang.):v.27, N2, 257-261.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d