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2-Iodomethyl-7-methoxy-8-(prop-2'-enyl)-2,3-dihydroanthra[1,2-B]furan-6,11-dione
SpectraBase Compound ID Lo1PlbPDU1p
InChI InChI=1S/C21H17IO4/c1-3-4-11-5-7-14-16(20(11)25-2)18(23)15-8-6-12-9-13(10-22)26-21(12)17(15)19(14)24/h3-8,13H,9-10H2,1-2H3/b4-3+
InChIKey AUPZCIRKPAQNQR-ONEGZZNKSA-N
Mol Weight 460.27 g/mol
Molecular Formula C21H17IO4
Exact Mass 460.017154 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IIuzmRwGOao
Name 2-Iodomethyl-7-methoxy-8-(prop-2'-enyl)-2,3-dihydroanthra[1,2-B]furan-6,11-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.017154023 u
Formula C21H17IO4
InChI InChI=1S/C21H17IO4/c1-3-4-11-5-7-14-16(20(11)25-2)18(23)15-8-6-12-9-13(10-22)26-21(12)17(15)19(14)24/h3-8,13H,9-10H2,1-2H3/b4-3+
InChIKey AUPZCIRKPAQNQR-ONEGZZNKSA-N
Molecular Weight 460.267 g/mol
SMILES C1=2C(C3=CC=C(C(=C3C(C2C=CC2=C1OC(CI)C2)=O)OC)\C=C\C)=O