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2-(benzylsulfonyl)-1,2-dihydroisoquinaldonitrile
SpectraBase Compound ID GzF4h7JLSZt
InChI InChI=1S/C17H14N2O2S/c18-12-17-16-9-5-4-8-15(16)10-11-19(17)22(20,21)13-14-6-2-1-3-7-14/h1-11,17H,13H2
InChIKey AOIZZMKHVZRGJG-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C17H14N2O2S
Exact Mass 310.077599 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qlt1u8hCKo
Name 2-(benzylsulfonyl)-1,2-dihydroisoquinaldonitrile
Source of Sample F. Popp, Clarkson College of Technology, Potsdam, New York
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Formula C17H14N2O2S
InChI InChI=1S/C17H14N2O2S/c18-12-17-16-9-5-4-8-15(16)10-11-19(17)22(20,21)13-14-6-2-1-3-7-14/h1-11,17H,13H2
InChIKey AOIZZMKHVZRGJG-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 3456M
Solvent Acetone
Synonyms ISOQUINALDONITRILE, 2-/BENZYL- SULFONYL/-1,2-DIHYDRO-,