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2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,4-naphthoquinone

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

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-1,4-naphthoquinone
SpectraBase Compound ID LVqEN9Sy05e
InChI InChI=1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
InChIKey PTWSIIUEOFZCHW-NTCAYCPXSA-N
Mol Weight 308.42 g/mol
Molecular Formula C21H24O2
Exact Mass 308.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7SEVRW7Ijb5
Name 2-[(2E)-3,7-Dimethylocta-2,6-dienyl]-3-methyl-1,4-naphthoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.177630011 u
Formula C21H24O2
InChI InChI=1S/C21H24O2/c1-14(2)8-7-9-15(3)12-13-17-16(4)20(22)18-10-5-6-11-19(18)21(17)23/h5-6,8,10-12H,7,9,13H2,1-4H3/b15-12+
InChIKey PTWSIIUEOFZCHW-NTCAYCPXSA-N
Molecular Weight 308.421 g/mol
SMILES C1(=C(C(=O)C2=C(C1=O)C=CC=C2)C)C\C=C\(CCC=C(C)C)C