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7-Oxa-2-phenylseleno-3-(p-toluenesulfonyl)-2,5-bicyclo[2.2.1]heptadiene
SpectraBase Compound ID 6wd4DKsYIz2
InChI InChI=1S/C19H16O3SSe/c1-13-7-9-14(10-8-13)23(20,21)18-16-11-12-17(22-16)19(18)24-15-5-3-2-4-6-15/h2-12,16-17H,1H3/t16-,17+/m1/s1
InChIKey KZVDEJFLMRCEOZ-SJORKVTESA-N
Mol Weight 403.37 g/mol
Molecular Formula C19H16O3SSe
Exact Mass 403.998538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOvgn2SUqt
Name 7-Oxa-2-phenylseleno-3-(p-toluenesulfonyl)-2,5-bicyclo[2.2.1]heptadiene
Comments Less than 3 mono-isotopic peaks
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Formula C19H16O3SSe
InChI InChI=1S/C19H16O3SSe/c1-13-7-9-14(10-8-13)23(20,21)18-16-11-12-17(22-16)19(18)24-15-5-3-2-4-6-15/h2-12,16-17H,1H3/t16-,17+/m1/s1
InChIKey KZVDEJFLMRCEOZ-SJORKVTESA-N
Molecular Weight 403.366 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)=C([C@]2(O[C@@]1(C=C2)[H])[H])[Se]c1ccccc1
SPLASH splash10-000i-0009100000-a2ea11340b9c029166b3
Source of Spectrum J-64-7430-6
Wiley ID 1531087