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2-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethylamino)-methyl]-phenol
SpectraBase Compound ID IOKO4gdnlSY
InChI InChI=1S/C13H14ClO2S/c1-8(15)13-11(16)7-12(17(13)2)9-3-5-10(14)6-4-9/h3-6,12,16H,7H2,1-2H3/p-1/t12-/m0/s1
InChIKey MAFLVABTUGBOLE-LBPRGKRZSA-M
Mol Weight 269.77 g/mol
Molecular Formula C13H14ClO2S
Exact Mass 269.040304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnqLIfFip1a
Name 2-[((1R,2R)-2-Hydroxy-1-methyl-2-phenyl-ethylamino)-methyl]-phenol
Alternate Name(s) (1R,5S)-2-acetyl-5-(4-chlorophenyl)-1-methyl-4,5-dihydro-1H-1lambda(4)-thiophen-3-olate cis-2-Acetyl-3-oxo-5-(4-chlorophenyl)-1-methylthiolane-2-ylide
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Formula C13H13ClO2S
InChI InChI=1S/C13H14ClO2S/c1-8(15)13-11(16)7-12(17(13)2)9-3-5-10(14)6-4-9/h3-6,12,16H,7H2,1-2H3/p-1/t12-/m0/s1
InChIKey MAFLVABTUGBOLE-LBPRGKRZSA-M
Molecular Weight 269.766 g/mol
SMILES S1([C@@](CC(=C1C(=O)C)[O-])(c1ccc(cc1)Cl)[H])C
SPLASH splash10-000i-8940000000-35dd6ebe2dee4b32020b
Source of Spectrum E1-38-334-7
Wiley ID 1518145