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5-Ethyl 2-Methyl 4'-Bromo-4-heptyl-3-hydroxybiphenyl-2,5-dicarboxylate
SpectraBase Compound ID 78ylf6GjLRW
InChI InChI=1S/C24H29BrO5/c1-4-6-7-8-9-10-18-20(23(27)30-5-2)15-19(16-11-13-17(25)14-12-16)21(22(18)26)24(28)29-3/h11-15,26H,4-10H2,1-3H3
InChIKey XNSRDNQQMOXTLW-UHFFFAOYSA-N
Mol Weight 477.4 g/mol
Molecular Formula C24H29BrO5
Exact Mass 476.119837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QpPyx4pRji
Name 5-Ethyl 2-Methyl 4'-Bromo-4-heptyl-3-hydroxybiphenyl-2,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29BrO5
InChI InChI=1S/C24H29BrO5/c1-4-6-7-8-9-10-18-20(23(27)30-5-2)15-19(16-11-13-17(25)14-12-16)21(22(18)26)24(28)29-3/h11-15,26H,4-10H2,1-3H3
InChIKey XNSRDNQQMOXTLW-UHFFFAOYSA-N
Molecular Weight 477.395 g/mol
SMILES Oc1c(c(cc(c1CCCCCCC)C(=O)OCC)-c1ccc(cc1)Br)C(=O)OC
SPLASH splash10-00fr-0129500000-8a2faa1ca3b7d9bffd4c
Source of Spectrum U1-2010-3740-13n
Synonyms 5-(4-bromophenyl)-2-heptyl-3-hydroxybenzene-1,4-dicarboxylic acid O1-ethyl ester O4-methyl ester 1-O-ethyl 4-O-methyl 5-(4-bromophenyl)-2-heptyl-3-hydroxybenzene-1,4-dicarboxylate O1-ethyl O4-methyl 5-(4-bromophenyl)-2-heptyl-3-hydroxy-benzene-1,4-dicarboxylate O1-ethyl O4-methyl 5-(4-bromophenyl)-2-heptyl-3-oxidanyl-benzene-1,4-dicarboxylate
Wiley ID 1663985