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trans-1-[9,10-DIHYDRO-10-(METHANE-SULFONAMIDO)-9-PHENANTHRENYL]-5-METHYL-1,4-81H,3H)-PYRIMDINE-DIONE

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trans-1-[9,10-DIHYDRO-10-(METHANE-SULFONAMIDO)-9-PHENANTHRENYL]-5-METHYL-1,4-81H,3H)-PYRIMDINE-DIONE
SpectraBase Compound ID 2iJhaAc4iNN
InChI InChI=1S/C20H19N3O4S/c1-12-11-23(20(25)21-19(12)24)18-16-10-6-4-8-14(16)13-7-3-5-9-15(13)17(18)22-28(2,26)27/h3-11,17-18,22H,1-2H3,(H,21,24,25)/t17-,18-/m1/s1
InChIKey KBSAYPHFTWTTMR-QZTJIDSGSA-N
Mol Weight 397.45 g/mol
Molecular Formula C20H19N3O4S
Exact Mass 397.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMjZOPTaENU
Name trans-1-[9,10-DIHYDRO-10-(METHANE-SULFONAMIDO)-9-PHENANTHRENYL]-5-METHYL-1,4-81H,3H)-PYRIMDINE-DIONE
Compound Number 16
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H19N3O4S/c1-12-11-23(20(25)21-19(12)24)18-16-10-6-4-8-14(16)13-7-3-5-9-15(13)17(18)22-28(2,26)27/h3-11,17-18,22H,1-2H3,(H,21,24,25)/t17-,18-/m1/s1
InChIKey KBSAYPHFTWTTMR-QZTJIDSGSA-N
Literature Reference J.HETCYCL.CHEM.,33,681(1996) Y.SHALOM,R.G.HARVEY,J.BLUM
Solvent Dimethyl sulfoxide-d6
Technique SELECTIVE DECOUPLING