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2,4-Dichlorophenethylamine hex
SpectraBase Compound ID 17dEehmyyaa
InChI InChI=1S/C14H19Cl2NO/c1-2-3-4-5-14(18)17-9-8-11-6-7-12(15)10-13(11)16/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKey ILABKIRYKKHUJC-UHFFFAOYSA-N
Mol Weight 288.22 g/mol
Molecular Formula C14H19Cl2NO
Exact Mass 287.08437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATZUURC6yyk
Name 2,4-Dichlorophenethylamine hex
Comments Computed using HOSE algorithm
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Exact Mass 287.084369635 u
Formula C14H19Cl2NO
InChI InChI=1S/C14H19Cl2NO/c1-2-3-4-5-14(18)17-9-8-11-6-7-12(15)10-13(11)16/h6-7,10H,2-5,8-9H2,1H3,(H,17,18)
InChIKey ILABKIRYKKHUJC-UHFFFAOYSA-N
SMILES C=1(C(=CC(=CC1)Cl)Cl)CCNC(CCCCC)=O