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1,1,1-Trichloro-butane
SpectraBase Compound ID IXpCqDB85Fu
InChI InChI=1S/C4H7Cl3/c1-2-3-4(5,6)7/h2-3H2,1H3
InChIKey ABSHBZODGOHLFR-UHFFFAOYSA-N
Mol Weight 161.46 g/mol
Molecular Formula C4H7Cl3
Exact Mass 159.961333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUV5t2c2ipd
Name 1,1,1-TRICHLOROBUTANE
Comments S
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Formula C4H7Cl3
InChI InChI=1S/C4H7Cl3/c1-2-3-4(5,6)7/h2-3H2,1H3
InChIKey ABSHBZODGOHLFR-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference N.A.RYBAKOVA, V.I.DOSTOVALOVA, A.A.SLEPUSHKINA, V.I.ROBAS, R.KH.FREIDLINA(1973) Izv.Akad.Nauk SSSR(Russ. Lang.): N2, 359-363.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C6H5Cl chlorobenzene