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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmDNnByh0Qm
Name 3-{[2,5-Bis(benzyloxy)-4-methylphenyl]methyl}-pentan-2,4-dione
Alternate Name(s) 3-(2,5-bis(benzyloxy)-4-methylbenzyl)pentane-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002_(SICI)1521-3897(200001)342_1_17
Molecular Weight 416.517 g/mol
SMILES CC(C(C(C)=O)Cc1c(cc(c(c1)OCc1ccccc1)C)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-7f152478a7aa6f77392d
Source of Spectrum JF-342-20-11
Wiley ID 1766790