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2-(3,4-di(N-Butyl)oxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one

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2-(3,4-di(N-Butyl)oxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
SpectraBase Compound ID Eltcy68y2i7
InChI InChI=1S/C23H28O6/c1-3-5-9-27-19-8-7-15(11-21(19)28-10-6-4-2)20-14-18(26)23-17(25)12-16(24)13-22(23)29-20/h7-8,11-13,20,24-25H,3-6,9-10,14H2,1-2H3
InChIKey MGERMVNXQFGWSJ-UHFFFAOYSA-N
Mol Weight 400.47 g/mol
Molecular Formula C23H28O6
Exact Mass 400.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92Y8abAc0j8
Name 2-(3,4-di(N-Butyl)oxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.188588616 u
Formula C23H28O6
InChI InChI=1S/C23H28O6/c1-3-5-9-27-19-8-7-15(11-21(19)28-10-6-4-2)20-14-18(26)23-17(25)12-16(24)13-22(23)29-20/h7-8,11-13,20,24-25H,3-6,9-10,14H2,1-2H3
InChIKey MGERMVNXQFGWSJ-UHFFFAOYSA-N
Molecular Weight 400.471 g/mol
SMILES C1=C(C(OCCCC)=CC=C1C1CC(C2=C(C=C(C=C2O)O)O1)=O)OCCCC