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3-(3-Bromophenyl)-6-(2-oxopropoxy)coumarin
SpectraBase Compound ID 1wRYFEd64X0
InChI InChI=1S/C18H13BrO4/c1-11(20)10-22-15-5-6-17-13(8-15)9-16(18(21)23-17)12-3-2-4-14(19)7-12/h2-9H,10H2,1H3
InChIKey WTVSFALIPXRBJB-UHFFFAOYSA-N
Mol Weight 373.2 g/mol
Molecular Formula C18H13BrO4
Exact Mass 371.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHH6OWqsNbi
Name 3-(3-Bromophenyl)-6-(2-oxopropoxy)coumarin
Alternate Name(s) 3-(3-bromophenyl)-6-(2-oxopropoxy)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13BrO4
InChI InChI=1S/C18H13BrO4/c1-11(20)10-22-15-5-6-17-13(8-15)9-16(18(21)23-17)12-3-2-4-14(19)7-12/h2-9H,10H2,1H3
InChIKey WTVSFALIPXRBJB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201300533
Molecular Weight 373.202 g/mol
SMILES C1(Oc2ccc(cc2C=C1c1cc(ccc1)Br)OCC(C)=O)=O
SPLASH splash10-00di-0209000000-882cb80bdc85e58ef182
Source of Spectrum CMC-9-1497-21
Wiley ID 1771882