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3-[2,5-Bis(benzyloxy)-4-methyl]benzyliden-pentan-2,4-dione

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

3-[2,5-Bis(benzyloxy)-4-methyl]benzyliden-pentan-2,4-dione
SpectraBase Compound ID 5JCkWVa6Eev
InChI InChI=1S/C27H26O4/c1-19-14-27(31-18-23-12-8-5-9-13-23)24(15-25(20(2)28)21(3)29)16-26(19)30-17-22-10-6-4-7-11-22/h4-16H,17-18H2,1-3H3
InChIKey ASFJQSBLXWIOEJ-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C27H26O4
Exact Mass 414.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jqctzNJ3Uv
Name 3-[2,5-bis(Benzyloxy)-4-methyl]benzyliden-pentan-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.183109313 u
Formula C27H26O4
InChI InChI=1S/C27H26O4/c1-19-14-27(31-18-23-12-8-5-9-13-23)24(15-25(20(2)28)21(3)29)16-26(19)30-17-22-10-6-4-7-11-22/h4-16H,17-18H2,1-3H3
InChIKey ASFJQSBLXWIOEJ-UHFFFAOYSA-N
Molecular Weight 414.501 g/mol
SMILES CC(C(C(C)=O)=CC=1C(=CC(=C(C1)OCC=1C=CC=CC1)C)OCC=1C=CC=CC1)=O