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1,4-Naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methyl-3-oxopentyl)-

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1,4-Naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methyl-3-oxopentyl)-
SpectraBase Compound ID C1Ta4XDxZXm
InChI InChI=1S/C20H24O4/c1-10(2)15(21)9-8-13-12(5)6-7-14-17(13)20(24)19(23)16(11(3)4)18(14)22/h6-7,10-11,23H,8-9H2,1-5H3
InChIKey BLNJUMJBWJMCEB-UHFFFAOYSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfDQiHF9TTj
Name 1,4-Naphthalenedione, 3-hydroxy-6-methyl-2-(1-methylethyl)-5-(4-methyl-3-oxopentyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-10(2)15(21)9-8-13-12(5)6-7-14-17(13)20(24)19(23)16(11(3)4)18(14)22/h6-7,10-11,23H,8-9H2,1-5H3
InChIKey BLNJUMJBWJMCEB-UHFFFAOYSA-N
Molecular Weight 328.408 g/mol
SMILES C1(=CC=C2C(=C1CCC(=O)C(C)C)C(C(=C(C2=O)C(C)C)O)=O)C