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3-(4-METHYLBENZOYL)-9-CHLORO-3,4-DIHYDRO-2H,5H-1-BENZOPYRANO-[4,3-B]-PYRAN-5-ONE
SpectraBase Compound ID 5p62NBsSrPF
InChI InChI=1S/C20H15ClO4/c1-11-2-4-12(5-3-11)18(22)13-8-16-19(24-10-13)15-9-14(21)6-7-17(15)25-20(16)23/h2-7,9,13H,8,10H2,1H3
InChIKey QMRBNLVWPNQAKW-UHFFFAOYSA-N
Mol Weight 354.79 g/mol
Molecular Formula C20H15ClO4
Exact Mass 354.065887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RCiOvTVWS
Name 9-Chloranyl-3-(4-methylphenyl)carbonyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClO4
InChI InChI=1S/C20H15ClO4/c1-11-2-4-12(5-3-11)18(22)13-8-16-19(24-10-13)15-9-14(21)6-7-17(15)25-20(16)23/h2-7,9,13H,8,10H2,1H3
InChIKey QMRBNLVWPNQAKW-UHFFFAOYSA-N
Molecular Weight 354.789 g/mol
SMILES C12=C(c3cc(Cl)ccc3OC2=O)OCC(C1)C(c1ccc(cc1)C)=O
SPLASH splash10-00ku-9460000000-6d87c522e8015fb62e5b
Source of Spectrum Y-35-1459-3
Synonyms 9-Chloro-3-(4-methylbenzoyl)-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one 9-Chloro-3-p-toluoyl-3,4-dihydro-2H-pyrano[3,2-c]chromen-5-one 9-Chloro-3-[(4-methylphenyl)-oxomethyl]-3,4-dihydro-2H-pyrano[3,2-c][1]benzopyran-5-one
Wiley ID 761881