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3-Bromo-1-(4'-methylsulfonyl)-2-phenylazetidine
SpectraBase Compound ID 89MXaxnqETG
InChI InChI=1S/C16H16BrNO2S/c1-12-7-9-14(10-8-12)21(19,20)18-11-15(17)16(18)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1
InChIKey SBTRBCYISKXQDV-JKSUJKDBSA-N
Mol Weight 366.27 g/mol
Molecular Formula C16H16BrNO2S
Exact Mass 365.008513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6hA0kMcxuf
Name 3-Bromo-1-(4'-methylsulfonyl)-2-phenylazetidine
Alternate Name(s) (2R,3S)-3-Bromo-2-phenyl-1-(toluene-4-sulfonyl)-azetidine 3-Bromo-1-(4'-methylphenylsulfonyl)-2-phenylazetidine
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Formula C16H16BrNO2S
InChI InChI=1S/C16H16BrNO2S/c1-12-7-9-14(10-8-12)21(19,20)18-11-15(17)16(18)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16+/m0/s1
InChIKey SBTRBCYISKXQDV-JKSUJKDBSA-N
Molecular Weight 366.273 g/mol
SMILES [C@]1(N(S(c2ccc(C)cc2)(=O)=O)C[C@@]1(Br)[H])(c1ccccc1)[H]
SPLASH splash10-0pwc-7920000000-bc8563cf468a415b5a2f
Source of Spectrum U1-2000-3010-11
Wiley ID 753999