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5-AMINO-3-MERCAPTO-8,10-DI-(4-METHOXYPHENYL)-9-THIA-2,4-DIAZASPIRO-[5,5]-UNDECA-2,4,7,10-TETRAEN-1-ONE
SpectraBase Compound ID 9I1vSwEy7ER
InChI InChI=1S/C22H19N3O3S2/c1-27-15-7-3-13(4-8-15)17-11-22(19(23)24-21(29)25-20(22)26)12-18(30-17)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3,(H3,23,24,25,26,29)
InChIKey XMKIXQGWFVHUIO-UHFFFAOYSA-N
Mol Weight 437.53 g/mol
Molecular Formula C22H19N3O3S2
Exact Mass 437.086784 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DfnTRPdzSPA
Name 5-AMINO-3-MERCAPTO-8,10-DI-(4-METHOXYPHENYL)-9-THIA-2,4-DIAZASPIRO-[5,5]-UNDECA-2,4,7,10-TETRAEN-1-ONE
Compound Number 16B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19N3O3S2
InChI InChI=1S/C22H19N3O3S2/c1-27-15-7-3-13(4-8-15)17-11-22(19(23)24-21(29)25-20(22)26)12-18(30-17)14-5-9-16(28-2)10-6-14/h3-12H,1-2H3,(H3,23,24,25,26,29)
InChIKey XMKIXQGWFVHUIO-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,A.BALAIAH,D.B.REDDY
Literature Reference Citation J.HETCYCL.CHEM.,39,649(2002)
Literature Reference DOI 10.1002/jhet.5570390408
Molecular Weight 437.531 g/mol
Solvent DMSO-D6
Source File Reference UWSI8709