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4-Hydroxy-3-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methylpyran-2-one
SpectraBase Compound ID 1FLVEvViHAe
InChI InChI=1S/C17H14O7/c1-9-5-12(19)15(17(20)24-9)11(18)4-3-10-6-13(21-2)16-14(7-10)22-8-23-16/h3-7,19H,8H2,1-2H3/b4-3+
InChIKey IFBAFPHXTFPLQH-ONEGZZNKSA-N
Mol Weight 330.29 g/mol
Molecular Formula C17H14O7
Exact Mass 330.073953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gax1CjaXef8
Name 4-Hydroxy-3-[3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]-6-methylpyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.073952784 u
Formula C17H14O7
InChI InChI=1S/C17H14O7/c1-9-5-12(19)15(17(20)24-9)11(18)4-3-10-6-13(21-2)16-14(7-10)22-8-23-16/h3-7,19H,8H2,1-2H3/b4-3+
InChIKey IFBAFPHXTFPLQH-ONEGZZNKSA-N
Molecular Weight 330.292 g/mol
SMILES C12=C(C=C(C=C2OC)\C=C\C(=O)C=2C(OC(C)=CC2O)=O)OCO1