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10-Bromo-5a,6-dihydro-12H-chromeno[2,3-c][1]benzoxepin-12-one
SpectraBase Compound ID Ain4wpAdftd
InChI InChI=1S/C17H11BrO3/c18-11-5-6-15-13(8-11)17(19)12-7-10-3-1-2-4-14(10)21-16(12)9-20-15/h1-8,16H,9H2
InChIKey DIBBWMUSRWOSMA-UHFFFAOYSA-N
Mol Weight 343.18 g/mol
Molecular Formula C17H11BrO3
Exact Mass 341.989157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ARb2HEQtc
Name 10-Bromo-5a,6-dihydro-12H-chromeno[2,3-c][1]benzoxepin-12-one
Appearance Colorless liquid
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Formula C17H11BrO3
InChI InChI=1S/C17H11BrO3/c18-11-5-6-15-13(8-11)17(19)12-7-10-3-1-2-4-14(10)21-16(12)9-20-15/h1-8,16H,9H2
InChIKey DIBBWMUSRWOSMA-UHFFFAOYSA-N
Instrument Name Hewlett Packard series II
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0014.303
Molecular Weight 343.176 g/mol
Reported Formula C17H11BrO3
SMILES c1(Br)cc2C(C=3C(COc2cc1)Oc1c(C3)cccc1)=O
SPLASH splash10-00di-0390000000-63366565996d29ab0492
Source of Spectrum ARK-2013-33-3c
Thin-Layer Chromatography Rf = 0.56 (ethyl acetate/n-hexane, 1:6)
Wiley ID 1853435