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CQPRUUYVBSPKGZ-UHFFFAOYSA-N
SpectraBase Compound ID YLjxeIIQgY
InChI InChI=1S/C16H16N2O3S/c1-22(20,21)18-14-10-6-5-9-13(14)16(19)17-11-15(18)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,17,19)
InChIKey CQPRUUYVBSPKGZ-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qFdGbRekmA
Name 2,3,4,5-TETRAHYDRO-1-METHYLSULFONYL-2-PHENYL-1H-1,4-BENZODIAZEPIN-5-ONE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-22(20,21)18-14-10-6-5-9-13(14)16(19)17-11-15(18)12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,17,19)
InChIKey CQPRUUYVBSPKGZ-UHFFFAOYSA-N
Literature Reference Author M.J.MPHAHLELE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3477(1999)
Literature Reference DOI 10.1039/a906449d
Molecular Weight 316.375 g/mol
Solvent DMSO-D6
Source File Reference UWKP2571