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Diethyl 2-(4-Phenylphenoxy)-2-(4-bromobenzyl)malonate
SpectraBase Compound ID C0YAkz2H0YX
InChI InChI=1S/C26H25BrO5/c1-3-30-24(28)26(25(29)31-4-2,18-19-10-14-22(27)15-11-19)32-23-16-12-21(13-17-23)20-8-6-5-7-9-20/h5-17H,3-4,18H2,1-2H3
InChIKey PZXKXFMRTZHBOW-UHFFFAOYSA-N
Mol Weight 497.39 g/mol
Molecular Formula C26H25BrO5
Exact Mass 496.088537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5eXbeCYfbj
Name Diethyl 2-(4-Phenylphenoxy)-2-(4-bromobenzyl)malonate
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25BrO5
InChI InChI=1S/C26H25BrO5/c1-3-30-24(28)26(25(29)31-4-2,18-19-10-14-22(27)15-11-19)32-23-16-12-21(13-17-23)20-8-6-5-7-9-20/h5-17H,3-4,18H2,1-2H3
InChIKey PZXKXFMRTZHBOW-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.8b00835
Molecular Weight 497.385 g/mol
SMILES C(C)OC(C(Oc1ccc(cc1)-c1ccccc1)(Cc1ccc(cc1)Br)C(OCC)=O)=O
SPLASH splash10-00di-0900000000-d0bf4aa9bdff4136db2b
Source of Spectrum AF-61-8293-6b
Wiley ID 1871917