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2-Bromophenethylamine form
SpectraBase Compound ID H0LhHZxBwBC
InChI InChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12)
InChIKey ZKDSNRILISYURC-UHFFFAOYSA-N
Mol Weight 228.09 g/mol
Molecular Formula C9H10BrNO
Exact Mass 226.994577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiuX00aUfN1
Name 2-Bromophenethylamine form
Comments Computed using HOSE algorithm
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Exact Mass 226.994576945 u
Formula C9H10BrNO
InChI InChI=1S/C9H10BrNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4,7H,5-6H2,(H,11,12)
InChIKey ZKDSNRILISYURC-UHFFFAOYSA-N
Molecular Weight 228.089 g/mol
SMILES C=1(C(=CC=CC1)Br)CCNC=O