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

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2-(3,4-di(N-Butyl)oxyphenyl)-2,3-dihydro-5-hydroxy,7-(N-butyl)oxy-4H-1-benzopyran-4-one
SpectraBase Compound ID GwfDWkDvKnt
InChI InChI=1S/C27H36O6/c1-4-7-12-30-20-16-21(28)27-22(29)18-24(33-26(27)17-20)19-10-11-23(31-13-8-5-2)25(15-19)32-14-9-6-3/h10-11,15-17,24,28H,4-9,12-14,18H2,1-3H3
InChIKey POXVNVDPPLBHOA-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C27H36O6
Exact Mass 456.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bQkC6Hz2QL
Name 2-(3,4-di(N-Butyl)oxyphenyl)-2,3-dihydro-5-hydroxy,7-(N-butyl)oxy-4H-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.251188873 u
Formula C27H36O6
InChI InChI=1S/C27H36O6/c1-4-7-12-30-20-16-21(28)27-22(29)18-24(33-26(27)17-20)19-10-11-23(31-13-8-5-2)25(15-19)32-14-9-6-3/h10-11,15-17,24,28H,4-9,12-14,18H2,1-3H3
InChIKey POXVNVDPPLBHOA-UHFFFAOYSA-N
Molecular Weight 456.579 g/mol
SMILES C1=C(C(OCCCC)=CC=C1C1CC(C2=C(C=C(C=C2O)OCCCC)O1)=O)OCCCC