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3-{[2,5-Bis(benzyloxy)-4-methylphenyl]methyl}-pentan-2,4-dione

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3-{[2,5-Bis(benzyloxy)-4-methylphenyl]methyl}-pentan-2,4-dione
SpectraBase Compound ID LZKIx9yeChn
InChI InChI=1S/C27H28O4/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/h4-14,16,25H,15,17-18H2,1-3H3
InChIKey JKIBESDHEPDGLS-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C27H28O4
Exact Mass 416.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ewqloofqub1
Name 3-{[2,5-bis(Benzyloxy)-4-methylphenyl]methyl}-pentan-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.198759378 u
Formula C27H28O4
InChI InChI=1S/C27H28O4/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/h4-14,16,25H,15,17-18H2,1-3H3
InChIKey JKIBESDHEPDGLS-UHFFFAOYSA-N
Molecular Weight 416.517 g/mol
SMILES CC(C(C(C)=O)CC=1C(=CC(=C(C1)OCC=1C=CC=CC1)C)OCC=1C=CC=CC1)=O