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Benzene, (1,1-dichloroethyl)-
SpectraBase Compound ID D9witeoVgRz
InChI InChI=1S/C8H8Cl2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YCWQUKYGSPNNCZ-UHFFFAOYSA-N
Mol Weight 175.06 g/mol
Molecular Formula C8H8Cl2
Exact Mass 174.000306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Btysi5iqUO5
Name Benzene, (1,1-dichloroethyl)-
Comments Computed using HOSE algorithm
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Exact Mass 174.000305658 u
Formula C8H8Cl2
InChI InChI=1S/C8H8Cl2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey YCWQUKYGSPNNCZ-UHFFFAOYSA-N
Molecular Weight 175.058 g/mol
SMILES C1=C(C=CC=C1)C(C)(Cl)Cl