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3,5-Hexadien-2-one, 1-bromo-6-phenyl-, (E,E)-
SpectraBase Compound ID AKpxdsvBWcl
InChI InChI=1S/C12H11BrO/c13-10-12(14)9-5-4-8-11-6-2-1-3-7-11/h1-9H,10H2/b8-4+,9-5+
InChIKey FQDJJASKWUPHGJ-KBXRYBNXSA-N
Mol Weight 251.12 g/mol
Molecular Formula C12H11BrO
Exact Mass 249.999328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1SsPhQi1K4
Name 3,5-Hexadien-2-one, 1-bromo-6-phenyl-, (E,E)-
Alternate Name(s) (3E,5E)-1-bromo-6-phenyl-3,5-hexadien-2-one trans, trans-1-bromo-6-phenyl-hexa-3,5-dien-2-one
CAS Registry Number 95142-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11BrO
InChI InChI=1S/C12H11BrO/c13-10-12(14)9-5-4-8-11-6-2-1-3-7-11/h1-9H,10H2/b8-4+,9-5+
InChIKey FQDJJASKWUPHGJ-KBXRYBNXSA-N
Molecular Weight 251.123 g/mol
SMILES c1(\C=C\C=C\C(=O)CBr)ccccc1
SPLASH splash10-004i-1900000000-20cb61b4036293cd27c6
Source of Spectrum F-40-2881-0
Wiley ID 1252902