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2,3-di-Tert-butoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione

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

2,3-di-Tert-butoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID 5ov27DWudXM
InChI InChI=1S/C21H26O4/c1-20(2,3)24-18-16(22)13-15(12-14-10-8-7-9-11-14)17(23)19(18)25-21(4,5)6/h7-11,13H,12H2,1-6H3
InChIKey ZRZQTZGTPQRDCB-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmUmodeYuIv
Name 2,3-di-Tert-butoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.183109313 u
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-20(2,3)24-18-16(22)13-15(12-14-10-8-7-9-11-14)17(23)19(18)25-21(4,5)6/h7-11,13H,12H2,1-6H3
InChIKey ZRZQTZGTPQRDCB-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)CC=1C=CC=CC1)OC(C)(C)C)OC(C)(C)C