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5-THIOXO-4-(TRIPHENYL-LAMBDA(5)-PHOSPHANYLIDENE)-4,5-DIHYDROCHROMENO-[4,3-D]-[1,2,3]-TRIAZEPIN-6(1H)-ONE
SpectraBase Compound ID 1X9ORSOxhxf
InChI InChI=1S/C29H20N3O2PS/c33-29-25-26(23-18-10-11-19-24(23)34-29)30-32-31-28(27(25)36)35(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,30,31)
InChIKey WGAARXNGAZIQJL-UHFFFAOYSA-N
Mol Weight 505.53 g/mol
Molecular Formula C29H20N3O2PS
Exact Mass 505.101385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24BzfMRB8MQ
Name 5-THIOXO-4-(TRIPHENYL-LAMBDA(5)-PHOSPHANYLIDENE)-4,5-DIHYDROCHROMENO-[4,3-D]-[1,2,3]-TRIAZEPIN-6(1H)-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H20N3O2PS
InChI InChI=1S/C29H20N3O2PS/c33-29-25-26(23-18-10-11-19-24(23)34-29)30-32-31-28(27(25)36)35(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H,(H,30,31)
InChIKey WGAARXNGAZIQJL-UHFFFAOYSA-N
Literature Reference Author S.S.MAIGALI,M.A.A.E.MAKSOUD,F.M.SOLIMAN
Literature Reference Citation J.CHEM.SCI.,125,1419(2013)
Literature Reference DOI 10.1007/s12039-013-0496-5
Molecular Weight 505.530 g/mol
Solvent DMSO-D6
Source File Reference UWBT11401