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3-NITRO-2-(PARA-TOLYLSULFONYLMETHYL)-BICYClO-[4.4.1]-UNDECA-1,3,5,7,9-PENTAENE
SpectraBase Compound ID B5cEQjKviED
InChI InChI=1S/C19H17NO4S/c1-14-6-9-17(10-7-14)25(23,24)13-18-16-5-3-2-4-15(12-16)8-11-19(18)20(21)22/h2-11H,12-13H2,1H3
InChIKey JFZPHBVYGRESDD-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C19H17NO4S
Exact Mass 355.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hv57sEUFVhC
Name 7-[(4-methylphenyl)sulfonylmethyl]-8-nitro-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Alternate Name(s) 8-Nitro-7-(p-tolylsulfonylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene 8-Nitro-7-(tosylmethyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
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Formula C19H17NO4S
InChI InChI=1S/C19H17NO4S/c1-14-6-9-17(10-7-14)25(23,24)13-18-16-5-3-2-4-15(12-16)8-11-19(18)20(21)22/h2-11H,12-13H2,1H3
InChIKey JFZPHBVYGRESDD-UHFFFAOYSA-N
Molecular Weight 355.408 g/mol
SMILES C=1(C(N(=O)=O)=CC=C2CC1C=CC=C2)CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0fr6-1910000000-f706287c2c20e0f0961f
Source of Spectrum AH-126-457-49
Wiley ID 1345215