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2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-
SpectraBase Compound ID GId1PykE36y
InChI InChI=1S/C30H21BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25,33H,18H2
InChIKey PXUKHUIJBDEIKD-UHFFFAOYSA-N
Mol Weight 525.4 g/mol
Molecular Formula C30H21BrO4
Exact Mass 524.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HBK2ExaoEb
Name 2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-
CAS Registry Number 28614-07-5
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H21BrO4
InChI InChI=1S/C30H21BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25,33H,18H2
InChIKey PXUKHUIJBDEIKD-UHFFFAOYSA-N
Molecular Weight 525.398 g/mol
SMILES OC=1c2c(cccc2)OC(=O)C1C(CC(c1ccc(cc1)-c1ccc(cc1)Br)=O)c1ccccc1
SPLASH splash10-0udi-7931000000-c7c6f8983ca6359c3480
Synonyms 3-[3-(4'-Bromo[1,1'-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-2H-chromen-2-one 3-[1-Phenyl-2-(4-(4-bromophenyl)benzoyl)ethyl]-4-hydroxycoumarin
Wiley ID 1470650