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4,5-DIHYDRO-3-(4-PYRIDINYL)-THIENO-[4,3,2-EF]-[1,4]-BENZOXAZEPINE-MALEAT
SpectraBase Compound ID 1hvPAR6rwTN
InChI InChI=1S/C15H12N2OS.C4H4O4/c1-2-13-15-12(10-19-14(15)3-1)17(8-9-18-13)11-4-6-16-7-5-11;5-3(6)1-2-4(7)8/h1-7,10H,8-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey YHFGFIBBQGKGNB-BTJKTKAUSA-N
Mol Weight 384.41 g/mol
Molecular Formula C19H16N2O5S
Exact Mass 384.077993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xP4iX0tnz0
Name 4,5-DIHYDRO-3-(4-PYRIDINYL)-THIENO-[4,3,2-EF]-[1,4]-BENZOXAZEPINE-MALEAT
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16N2O5S
InChI InChI=1S/C15H12N2OS.C4H4O4/c1-2-13-15-12(10-19-14(15)3-1)17(8-9-18-13)11-4-6-16-7-5-11;5-3(6)1-2-4(7)8/h1-7,10H,8-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey YHFGFIBBQGKGNB-BTJKTKAUSA-N
Literature Reference Author J.D.TOMER,G.M.SHUTSKE,D.FRIEDRICH
Literature Reference Citation J.HETCYCL.CHEM.,34,1769(1997)
Literature Reference DOI 10.1002/jhet.5570340621
Molecular Weight 384.406 g/mol
Solvent DMSO-D6
Source File Reference UWSW490