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3-(3-(Oxiran-2-yl)propanoyl)-6-bromo-2H-chromen-2-one
SpectraBase Compound ID 5vk7jTDEGdH
InChI InChI=1S/C14H11BrO4/c15-9-1-4-13-8(5-9)6-11(14(17)19-13)12(16)3-2-10-7-18-10/h1,4-6,10H,2-3,7H2
InChIKey NQUOZXLHMGGSME-UHFFFAOYSA-N
Mol Weight 323.14 g/mol
Molecular Formula C14H11BrO4
Exact Mass 321.984072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FnWF7OlQqp6
Name 3-(3-(Oxiran-2-yl)propanoyl)-6-bromo-2H-chromen-2-one
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11BrO4
InChI InChI=1S/C14H11BrO4/c15-9-1-4-13-8(5-9)6-11(14(17)19-13)12(16)3-2-10-7-18-10/h1,4-6,10H,2-3,7H2
InChIKey NQUOZXLHMGGSME-UHFFFAOYSA-N
Instrument Name Schimadzu GC/MS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3179
Molecular Weight 323.142 g/mol
SMILES C1(OC1)CCC(=O)C=1C(Oc2c(C1)cc(cc2)Br)=O
SPLASH splash10-0a4i-9111000000-521845ddf1b08262ee81
Source of Spectrum Y-55-SM23-42
Wiley ID 1880801