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3-METHYL-1-PHENYL-[1,3]-DIOXOLO-[5',6']-[1]-BENZOTHIENO-[2',3':5,6]-PYRANO-[2,3-C]-PYRAZOL-4(1H)-ONE
SpectraBase Compound ID E9XKWuRQARp
InChI InChI=1S/C20H12N2O4S/c1-10-16-17(23)19-18(12-7-13-14(25-9-24-13)8-15(12)27-19)26-20(16)22(21-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey URZRBYAJYKRECX-UHFFFAOYSA-N
Mol Weight 376.39 g/mol
Molecular Formula C20H12N2O4S
Exact Mass 376.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwiyXcrSqjk
Name 3-METHYL-1-PHENYL-[1,3]-DIOXOLO-[5',6']-[1]-BENZOTHIENO-[2',3':5,6]-PYRANO-[2,3-C]-PYRAZOL-4(1H)-ONE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H12N2O4S
InChI InChI=1S/C20H12N2O4S/c1-10-16-17(23)19-18(12-7-13-14(25-9-24-13)8-15(12)27-19)26-20(16)22(21-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey URZRBYAJYKRECX-UHFFFAOYSA-N
Literature Reference Author G.A.ELLER,W.HOLZER
Literature Reference Citation MOLECULES,12,60(2007)
Literature Reference DOI 10.3390/12010060
Molecular Weight 376.386 g/mol
Sample ID 46344
Solvent CDCl3