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2H-1-Benzopyran-2-one, 4-[1-(acetyloxy)propyl]-5,7-dihydroxy-8-(3-methyl-1-oxobutyl)-, (.+-.)-
SpectraBase Compound ID AY9yLF82DNC
InChI InChI=1S/C19H22O7/c1-5-15(25-10(4)20)11-7-16(24)26-19-17(11)13(22)8-14(23)18(19)12(21)6-9(2)3/h7-9,15,22-23H,5-6H2,1-4H3
InChIKey NHHZENHQXHACJL-UHFFFAOYSA-N
Mol Weight 362.38 g/mol
Molecular Formula C19H22O7
Exact Mass 362.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyNuSV1J8Dv
Name 2H-1-Benzopyran-2-one, 4-[1-(acetyloxy)propyl]-5,7-dihydroxy-8-(3-methyl-1-oxobutyl)-, (.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.136553041 u
Formula C19H22O7
InChI InChI=1S/C19H22O7/c1-5-15(25-10(4)20)11-7-16(24)26-19-17(11)13(22)8-14(23)18(19)12(21)6-9(2)3/h7-9,15,22-23H,5-6H2,1-4H3
InChIKey NHHZENHQXHACJL-UHFFFAOYSA-N
Molecular Weight 362.378 g/mol
SMILES C=1(C=2C(=C(C(CC(C)C)=O)C(=CC2O)O)OC(C1)=O)C(OC(=O)C)CC