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Propanedioic acid, [bromo(4-methylphenyl)methylene]-, 1,1-dimethylethyl methyl ester, (E)-
SpectraBase Compound ID 5yS7n3eQi7c
InChI InChI=1S/C16H19BrO4/c1-10-6-8-11(9-7-10)13(17)12(14(18)20-5)15(19)21-16(2,3)4/h6-9H,1-5H3/b13-12+
InChIKey KOYRPTDRIUXIQT-OUKQBFOZSA-N
Mol Weight 355.23 g/mol
Molecular Formula C16H19BrO4
Exact Mass 354.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlXwegSo7iw
Name Propanedioic acid, [bromo(4-methylphenyl)methylene]-, 1,1-dimethylethyl methyl ester, (E)-
CAS Registry Number 106098-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO4
InChI InChI=1S/C16H19BrO4/c1-10-6-8-11(9-7-10)13(17)12(14(18)20-5)15(19)21-16(2,3)4/h6-9H,1-5H3/b13-12+
InChIKey KOYRPTDRIUXIQT-OUKQBFOZSA-N
Molecular Weight 355.228 g/mol
SMILES C(\C(=C/(c1ccc(cc1)C)Br)C(=O)OC)(OC(C)(C)C)=O
SPLASH splash10-00ou-0941000000-23df61de07c8f441084f
Source of Spectrum J-51-4129-0
Synonyms (C) tert-butyl methyl .beta.-bromo(p-methylbenzylidene)-malonates-(E) 1-tert-Butyl 3-methyl (2E)-2-[bromo(4-methylphenyl)methylene]propanedioate
Wiley ID 1344333