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2-Cyclohexa-1,4-dienylethanesulfonic acid (S/R)-2-Azido-1-phenylethyl)amide
SpectraBase Compound ID Lmtgh6n40Fm
InChI InChI=1S/C16H20N4O2S/c17-20-18-13-16(15-9-5-2-6-10-15)19-23(21,22)12-11-14-7-3-1-4-8-14/h1-3,5-6,8-10,16,19H,4,7,11-13H2/t16-/m0/s1
InChIKey PXQLRHDZLFNOIE-INIZCTEOSA-N
Mol Weight 332.42 g/mol
Molecular Formula C16H20N4O2S
Exact Mass 332.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdC726RLbbF
Name 2-Cyclohexa-1,4-dienylethanesulfonic acid (S/R)-2-Azido-1-phenylethyl)amide
Alternate Name(s) N-[(1R)-2-azido-1-phenylethyl]-2-(1-cyclohexa-1,4-dienyl)ethanesulfonamide N-[(1R)-2-azido-1-phenylethyl]-2-cyclohexa-1,4-dien-1-ylethanesulfonamide
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Formula C16H20N4O2S
InChI InChI=1S/C16H20N4O2S/c17-20-18-13-16(15-9-5-2-6-10-15)19-23(21,22)12-11-14-7-3-1-4-8-14/h1-3,5-6,8-10,16,19H,4,7,11-13H2/t16-/m0/s1
InChIKey PXQLRHDZLFNOIE-INIZCTEOSA-N
Molecular Weight 332.422 g/mol
SMILES N(S(=O)(=O)CCC1=CCC=CC1)[C@](c1ccccc1)(CN=[N+]=[N-])[H]
SPLASH splash10-0a6u-5900000000-70e2dd1215f2978e32d5
Source of Spectrum F-70-3195-34
Wiley ID 1596755