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3-[5-Cyclohexylpentyl]-2-hydroxy-1,4-naphthoquinone

View entire compound with spectra: 1 NMR

3-[5-Cyclohexylpentyl]-2-hydroxy-1,4-naphthoquinone
SpectraBase Compound ID IqpKMvyLa6O
InChI InChI=1S/C21H26O3/c22-19-16-12-7-8-13-17(16)20(23)21(24)18(19)14-6-2-5-11-15-9-3-1-4-10-15/h7-8,12-13,15,24H,1-6,9-11,14H2
InChIKey MWXYNLYRCNXCMS-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhzswPvuG76
Name 3-[5-Cyclohexylpentyl]-2-hydroxy-1,4-naphthoquinone
Comments Computed using HOSE algorithm
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Exact Mass 326.188194694 u
Formula C21H26O3
InChI InChI=1S/C21H26O3/c22-19-16-12-7-8-13-17(16)20(23)21(24)18(19)14-6-2-5-11-15-9-3-1-4-10-15/h7-8,12-13,15,24H,1-6,9-11,14H2
InChIKey MWXYNLYRCNXCMS-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C1(=C(C(C=2C(C1=O)=CC=CC2)=O)CCCCCC1CCCCC1)O