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Buphedrone metabolite
SpectraBase Compound ID GGxfZoQjRe4
InChI InChI=1S/C11H17NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10-13H,3H2,1-2H3/t10-,11+/m0/s1
InChIKey ROPFLNLFWBUBCT-WDEREUQCSA-N
Mol Weight 179.26 g/mol
Molecular Formula C11H17NO
Exact Mass 179.131014 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55eBkBoqzXv
Name Buphedrone metabolite
Comments Computed using HOSE algorithm
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Exact Mass 179.131014170 u
Formula C11H17NO
InChI InChI=1S/C11H17NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10-13H,3H2,1-2H3/t10-,11+/m0/s1
InChIKey ROPFLNLFWBUBCT-WDEREUQCSA-N
Molecular Weight 179.263 g/mol
SMILES [C@@]([C@](CC)(NC)[H])(C=1C=CC=CC1)(O)[H]