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3,5-Di-tert-butylacetechol 1-benzyl 2-carboethoxymethyl ether

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

3,5-Di-tert-butylacetechol 1-benzyl 2-carboethoxymethyl ether
SpectraBase Compound ID 4uEUa206814
InChI InChI=1S/C25H34O4/c1-8-27-22(26)17-29-23-20(25(5,6)7)14-19(24(2,3)4)15-21(23)28-16-18-12-10-9-11-13-18/h9-15H,8,16-17H2,1-7H3
InChIKey DFPDMXDCEFDIFV-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GyruEUhE0PI
Name 3,5-di-Tert-butylacetechol 1-benzyl 2-carboethoxymethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 398.245709571 u
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-8-27-22(26)17-29-23-20(25(5,6)7)14-19(24(2,3)4)15-21(23)28-16-18-12-10-9-11-13-18/h9-15H,8,16-17H2,1-7H3
InChIKey DFPDMXDCEFDIFV-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES C1(=C(C(OCC2=CC=CC=C2)=CC(=C1)C(C)(C)C)OCC(=O)OCC)C(C)(C)C