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1,6-bis(4-Tert-butylphenyl)hexane-1,6-dione

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

1,6-bis(4-Tert-butylphenyl)hexane-1,6-dione
SpectraBase Compound ID LanoRg9Whl2
InChI InChI=1S/C26H34O2/c1-25(2,3)21-15-11-19(12-16-21)23(27)9-7-8-10-24(28)20-13-17-22(18-14-20)26(4,5)6/h11-18H,7-10H2,1-6H3
InChIKey RQIDATHTPVNDEW-UHFFFAOYSA-N
Mol Weight 378.6 g/mol
Molecular Formula C26H34O2
Exact Mass 378.25588 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNGSaepSHhF
Name 1,6-bis(4-Tert-butylphenyl)hexane-1,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.255880333 u
Formula C26H34O2
InChI InChI=1S/C26H34O2/c1-25(2,3)21-15-11-19(12-16-21)23(27)9-7-8-10-24(28)20-13-17-22(18-14-20)26(4,5)6/h11-18H,7-10H2,1-6H3
InChIKey RQIDATHTPVNDEW-UHFFFAOYSA-N
Molecular Weight 378.556 g/mol
SMILES C(C=1C=CC(=CC1)C(=O)CCCCC(C=1C=CC(C(C)(C)C)=CC1)=O)(C)(C)C