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(+-)-3-tert-butoxy-2-(1,5-dimethylhex-4-enyl)-5-methylcyclohexa-2,5-diene-1,4-dione

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

(+-)-3-tert-butoxy-2-(1,5-dimethylhex-4-enyl)-5-methylcyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID LCodnakh8df
InChI InChI=1S/C19H28O3/c1-12(2)9-8-10-13(3)16-15(20)11-14(4)17(21)18(16)22-19(5,6)7/h9,11,13H,8,10H2,1-7H3
InChIKey AYSQENJJTZSVJM-UHFFFAOYSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ao0aVTtchF
Name (+-)-3-tert-butoxy-2-(1,5-dimethylhex-4-enyl)-5-methylcyclohexa-2,5-diene-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-12(2)9-8-10-13(3)16-15(20)11-14(4)17(21)18(16)22-19(5,6)7/h9,11,13H,8,10H2,1-7H3
InChIKey AYSQENJJTZSVJM-UHFFFAOYSA-N
Molecular Weight 304.430 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)C)C(CCC=C(C)C)C)OC(C)(C)C