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3-[N-[(4-(4-IMINO-4H-THIENO-[3,4-C]-[1]-BENZOPYRAN-3-YL)-IMINO-4H-THIENO-[3,4-C]-[1]-BENZOPYRAN-3-YL]]-AMIDO-PROP-2-ONE
SpectraBase Compound ID JMiIiTrbetX
InChI InChI=1S/C26H17N3O4S2/c1-13(30)10-20(31)28-26-22-17(12-35-26)15-7-3-5-9-19(15)33-24(22)29-25-21-16(11-34-25)14-6-2-4-8-18(14)32-23(21)27/h2-9,11-12,27H,10H2,1H3,(H,28,31)/b27-23?,29-24-
InChIKey FTMSNKSPAJPHEE-UQVBCGOCSA-N
Mol Weight 499.56 g/mol
Molecular Formula C26H17N3O4S2
Exact Mass 499.066048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJHESKzIO2S
Name 3-[N-[(4-(4-IMINO-4H-THIENO-[3,4-C]-[1]-BENZOPYRAN-3-YL)-IMINO-4H-THIENO-[3,4-C]-[1]-BENZOPYRAN-3-YL]]-AMIDO-PROP-2-ONE
Compound Number 10E
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H17N3O4S2/c1-13(30)10-20(31)28-26-22-17(12-35-26)15-7-3-5-9-19(15)33-24(22)29-25-21-16(11-34-25)14-6-2-4-8-18(14)32-23(21)27/h2-9,11-12,27H,10H2,1H3,(H,28,31)/b27-23?,29-24-
InChIKey FTMSNKSPAJPHEE-UQVBCGOCSA-N
Literature Reference D.DOEPP,E.NYIONDI-BONGUEN,E.S.FONDJO,Z.T.FOMUM J.HETCYCL.CHEM.,33,281(1996)
Solvent Dimethyl sulfoxide-d6