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5-(2,2-dibromovinyl)-6-(phenylethynyl)benzo[d][1,3]dioxole
SpectraBase Compound ID Exi4dYmbNDc
InChI InChI=1S/C17H10Br2O2/c18-17(19)10-14-9-16-15(20-11-21-16)8-13(14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2
InChIKey QCWZYIMOOUWEGW-UHFFFAOYSA-N
Mol Weight 406.07 g/mol
Molecular Formula C17H10Br2O2
Exact Mass 403.904756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ3VuLsSbbd
Name 5-(2,2-dibromovinyl)-6-(phenylethynyl)benzo[d][1,3]dioxole
Appearance Pale yellow solid
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Formula C17H10Br2O2
InChI InChI=1S/C17H10Br2O2/c18-17(19)10-14-9-16-15(20-11-21-16)8-13(14)7-6-12-4-2-1-3-5-12/h1-5,8-10H,11H2
InChIKey QCWZYIMOOUWEGW-UHFFFAOYSA-N
Instrument Name Jeol JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201900996
Molecular Weight 406.073 g/mol
Reported Formula C17H10O2(79)Br2
SMILES C=12C(=CC(C#CC3=CC=CC=C3)=C(C1)C=C(Br)Br)OCO2
SPLASH splash10-0002-0092000000-fdd6037ba3a4edf4a890
Source of Spectrum QE-25-SM18-S2j (DOI: 10.1002/chem.201900996)
Thin-Layer Chromatography 0.11 (PE)
Wiley ID 1893859