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2-Cyclohexyl-5,7-dihydroxy-6-(3-methylbutyl)-1-benzopyran-4-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Cyclohexyl-5,7-dihydroxy-6-(3-methylbutyl)-1-benzopyran-4-one
SpectraBase Compound ID 2TIWdTw2Uz6
InChI InChI=1S/C20H26O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h10-13,21,23H,3-9H2,1-2H3
InChIKey QPVMHOBHFJAUPH-UHFFFAOYSA-N
Mol Weight 330.42 g/mol
Molecular Formula C20H26O4
Exact Mass 330.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EWBCTDu3Z0S
Name 2-Cyclohexyl-5,7-dihydroxy-6-(3-methylbutyl)-1-benzopyran-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.183109313 u
Formula C20H26O4
InChI InChI=1S/C20H26O4/c1-12(2)8-9-14-15(21)10-18-19(20(14)23)16(22)11-17(24-18)13-6-4-3-5-7-13/h10-13,21,23H,3-9H2,1-2H3
InChIKey QPVMHOBHFJAUPH-UHFFFAOYSA-N
Molecular Weight 330.424 g/mol
SMILES C1=2C(C=C(OC2C=C(O)C(=C1O)CCC(C)C)C1CCCCC1)=O