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(E)-1-bromo-2-(4-tolyl)-1,4-pentadiene
SpectraBase Compound ID XQwZKTg3W8
InChI InChI=1S/C12H13Br/c1-3-4-12(9-13)11-7-5-10(2)6-8-11/h3,5-9H,1,4H2,2H3/b12-9+
InChIKey KGGWRFMZMSNRRX-FMIVXFBMSA-N
Mol Weight 237.14 g/mol
Molecular Formula C12H13Br
Exact Mass 236.020063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gjrt4fJxBqI
Name (E)-1-bromo-2-(4-tolyl)-1,4-pentadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Br
InChI InChI=1S/C12H13Br/c1-3-4-12(9-13)11-7-5-10(2)6-8-11/h3,5-9H,1,4H2,2H3/b12-9+
InChIKey KGGWRFMZMSNRRX-FMIVXFBMSA-N
Literature Reference DOI 10.1021/ol1016096
Molecular Weight 237.140 g/mol
SMILES c1c(\C(=C\Br)CC=C)ccc(c1)C
SPLASH splash10-05n3-0950000000-f1c3a93bc6888c4f507c
Source of Spectrum A1-12-4006/SM-E_3b
Synonyms (E)-1-(1-bromopenta-1,4-dien-2-yl)-4-methylbenzene
Wiley ID 1752491