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Dichloropane
SpectraBase Compound ID EcHZ5dvfTiU
InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11?,14+,15?/m0/s1
InChIKey AMIHUYQKNJHXPT-QSORXEQWSA-N
Mol Weight 328.24 g/mol
Molecular Formula C16H19Cl2NO2
Exact Mass 327.079284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oV4it6mQ0
Name Dichloropane
Alternate Name(s) Methyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Dichloropropane, 2b-Carbomethoxy-3b-(3,4-dichlorophenyl)tropane O-401 RTI-111 Methyl (1R,2S,5S)-3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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Formula C16H19Cl2NO2
InChI InChI=1S/C16H19Cl2NO2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-12(17)13(18)7-9/h3,5,7,10-11,14-15H,4,6,8H2,1-2H3/t10-,11?,14+,15?/m0/s1
InChIKey AMIHUYQKNJHXPT-QSORXEQWSA-N
Molecular Weight 328.239 g/mol
SMILES C1C[C@@]2(C(C(C[C@]1(N2C)[H])c1ccc(c(c1)Cl)Cl)C(OC)=O)[H]
SPLASH splash10-001i-9100000000-43df5613baed623c5e7d
Source of Spectrum SWG-33-4798-0
Wiley ID 1811391