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Ethyl (E)-2,3-Dibromo-5-phenylpent-4-enoate
SpectraBase Compound ID BVmQ34l33mx
InChI InChI=1S/C13H14Br2O2/c1-2-17-13(16)12(15)11(14)9-8-10-6-4-3-5-7-10/h3-9,11-12H,2H2,1H3/b9-8+
InChIKey LTUYOXURSISTSF-CMDGGOBGSA-N
Mol Weight 362.06 g/mol
Molecular Formula C13H14Br2O2
Exact Mass 359.936056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GkFxHrVQKEI
Name Ethyl (E)-2,3-Dibromo-5-phenylpent-4-enoate
Appearance Beidge solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14Br2O2
InChI InChI=1S/C13H14Br2O2/c1-2-17-13(16)12(15)11(14)9-8-10-6-4-3-5-7-10/h3-9,11-12H,2H2,1H3/b9-8+
InChIKey LTUYOXURSISTSF-CMDGGOBGSA-N
Instrument Name Shimadzu GC-MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000893
Molecular Weight 362.061 g/mol
SMILES C(C)OC(C(C(\C=C\c1ccccc1)Br)Br)=O
SPLASH splash10-004i-0910000000-57b7ff89744cfa8b8ff0
Sample Comments mixture of diastereomers, dr = 33:67, dr = 33:67
Source of Spectrum U1-2020-5548-7c
Wiley ID 1860940