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2-Bromo-3-(2,4-hexadienyl)naphthoquinone
SpectraBase Compound ID Ira7SPH5suj
InChI InChI=1S/C16H13BrO2/c1-2-3-4-5-10-13-14(17)16(19)12-9-7-6-8-11(12)15(13)18/h2-9H,10H2,1H3/b3-2+,5-4+
InChIKey YHBPPDLLSQAJFC-MQQKCMAXSA-N
Mol Weight 317.18 g/mol
Molecular Formula C16H13BrO2
Exact Mass 316.009893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DYXPdfhTyI
Name 2-Bromo-3-(2,4-hexadienyl)naphthoquinone
CAS Registry Number 109035-46-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrO2
InChI InChI=1S/C16H13BrO2/c1-2-3-4-5-10-13-14(17)16(19)12-9-7-6-8-11(12)15(13)18/h2-9H,10H2,1H3/b3-2+,5-4+
InChIKey YHBPPDLLSQAJFC-MQQKCMAXSA-N
Molecular Weight 317.182 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)Br)C\C=C\C=C\C
SPLASH splash10-02t9-0089000000-b2ff3702a1e79a460b64
Source of Spectrum J-52-3964-0
Synonyms 2-Bromo-3-[(2E,4E)-2,4-hexadienyl]naphthoquinone
Wiley ID 1316572