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4,7,5'-TRIMETHYL-ALLOPSORALEN-III;4,7,5'-TRIMETHYL-7H-FURO-[2,3-F]-[1]-BENZOPYRAN-7-ONE
SpectraBase Compound ID 2ahsJxqJob9
InChI InChI=1S/C14H12O3/c1-7-4-11-13(8(2)5-12(15)17-11)14-10(7)6-9(3)16-14/h4-6H,1-3H3
InChIKey IZLPACMKANNNGR-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2UGDIuGc73
Name 4,7,5'-TRIMETHYL-ALLOPSORALEN-III;4,7,5'-TRIMETHYL-7H-FURO-[2,3-F]-[1]-BENZOPYRAN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-7-4-11-13(8(2)5-12(15)17-11)14-10(7)6-9(3)16-14/h4-6H,1-3H3
InChIKey IZLPACMKANNNGR-UHFFFAOYSA-N
Literature Reference Author A.GUIOTTO,P.MANZINI,A.CHILIN,G.PASTORINI,P.RODIGHIERO
Literature Reference Citation J.HETCYCL.CHEM.,22,649(1985)
Literature Reference DOI 10.1002/jhet.5570220306
Molecular Weight 228.247 g/mol
Solvent CDCl3
Source File Reference UWED7926