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endo-9-(N-Benzyl)amino-7-thia-8-azatricyclo[5.3.0.1(2,5)]deca-3,8-diene 7,7,dioxide
SpectraBase Compound ID BrxsyRcQJyy
InChI InChI=1S/C15H16N2O2S/c18-20(19)14-12-7-6-11(8-12)13(14)15(17-20)16-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2,(H,16,17)/t11-,12+,13-,14-/m1/s1
InChIKey QACNZJNPKDACMQ-XJFOESAGSA-N
Mol Weight 288.37 g/mol
Molecular Formula C15H16N2O2S
Exact Mass 288.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmKCpAwh9g3
Name endo-9-(N-Benzyl)amino-7-thia-8-azatricyclo[5.3.0.1(2,5)]deca-3,8-diene 7,7,dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C15H16N2O2S
InChI InChI=1S/C15H16N2O2S/c18-20(19)14-12-7-6-11(8-12)13(14)15(17-20)16-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2,(H,16,17)/t11-,12+,13-,14-/m1/s1
InChIKey QACNZJNPKDACMQ-XJFOESAGSA-N
Molecular Weight 288.365 g/mol
SMILES N(C1=NS([C@]2([C@]1([C@]1(C[C@@]2(C=C1)[H])[H])[H])[H])(=O)=O)Cc1ccccc1
SPLASH splash10-00di-0090000000-7c04dfc1d53b1c575452
Source of Spectrum K1-0-4289-13
Wiley ID 1589449