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Propanedioic acid, [[2-bromo-3,5-bis(phenylmethoxy)phenyl]methyl]-, diethyl ester
SpectraBase Compound ID 9VLuvmExeCy
InChI InChI=1S/C28H29BrO6/c1-3-32-27(30)24(28(31)33-4-2)16-22-15-23(34-18-20-11-7-5-8-12-20)17-25(26(22)29)35-19-21-13-9-6-10-14-21/h5-15,17,24H,3-4,16,18-19H2,1-2H3
InChIKey GAGALLRWWDKPNG-UHFFFAOYSA-N
Mol Weight 541.44 g/mol
Molecular Formula C28H29BrO6
Exact Mass 540.114752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmQgOq8EJTO
Name Propanedioic acid, [[2-bromo-3,5-bis(phenylmethoxy)phenyl]methyl]-, diethyl ester
CAS Registry Number 105705-34-8
Comments Less than 3 mono-isotopic peaks
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Formula C28H29BrO6
InChI InChI=1S/C28H29BrO6/c1-3-32-27(30)24(28(31)33-4-2)16-22-15-23(34-18-20-11-7-5-8-12-20)17-25(26(22)29)35-19-21-13-9-6-10-14-21/h5-15,17,24H,3-4,16,18-19H2,1-2H3
InChIKey GAGALLRWWDKPNG-UHFFFAOYSA-N
Molecular Weight 541.438 g/mol
SMILES C(Cc1c(c(OCc2ccccc2)cc(c1)OCc1ccccc1)Br)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0006-9000030000-5c5b3f9c64428031062f
Source of Spectrum B-39-794-6
Synonyms Diethyl 2-(3,5-dibenzyloxy-2-bromobenzyl)propane-1,3-dioate diethyl 2-[3,5-bis(benzyloxy)-2-bromobenzyl]malonate
Wiley ID 1404620