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(S)-Toliprolol

View entire compound with spectra: 2 MS (GC)

(S)-Toliprolol
SpectraBase Compound ID DnzkcJq99n7
InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1
InChIKey NXQMNKUGGYNLBY-LBPRGKRZSA-N
Mol Weight 223.32 g/mol
Molecular Formula C13H21NO2
Exact Mass 223.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98h9dPntVQA
Name (S)-Toliprolol
Alternate Name(s) (2S)-1-(3-methylphenoxy)-3-(propan-2-ylamino)-2-propanol (2S)-1-(3-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol (2S)-1-(isopropylamino)-3-(3-methylphenoxy)propan-2-ol
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Formula C13H21NO2
InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-5-11(3)7-13/h4-7,10,12,14-15H,8-9H2,1-3H3/t12-/m0/s1
InChIKey NXQMNKUGGYNLBY-LBPRGKRZSA-N
Molecular Weight 223.316 g/mol
SMILES N(C[C@@](COc1cc(C)ccc1)(O)[H])C(C)C
SPLASH splash10-00di-9000000000-3d87b6f8e179e6dde81c
Source of Spectrum F-65-6705-a
Wiley ID 1680242