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3-bromanyl-6,8-bis(phenylmethyl)benzo[7]annulene-1,4,7-trione
SpectraBase Compound ID 4gc0L9DBW4O
InChI InChI=1S/C25H17BrO3/c26-22-15-23(27)20-13-18(11-16-7-3-1-4-8-16)24(28)19(14-21(20)25(22)29)12-17-9-5-2-6-10-17/h1-10,13-15H,11-12H2
InChIKey JBCLUMUFATZMCL-UHFFFAOYSA-N
Mol Weight 445.31 g/mol
Molecular Formula C25H17BrO3
Exact Mass 444.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72jUXL8g01J
Name 3-bromanyl-6,8-bis(phenylmethyl)benzo[7]annulene-1,4,7-trione
Comments Less than 3 mono-isotopic peaks
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Formula C25H17BrO3
InChI InChI=1S/C25H17BrO3/c26-22-15-23(27)20-13-18(11-16-7-3-1-4-8-16)24(28)19(14-21(20)25(22)29)12-17-9-5-2-6-10-17/h1-10,13-15H,11-12H2
InChIKey JBCLUMUFATZMCL-UHFFFAOYSA-N
Molecular Weight 445.312 g/mol
SMILES C12=C(C=C(Cc3ccccc3)C(C(=C1)Cc1ccccc1)=O)C(=O)C=C(C2=O)Br
SPLASH splash10-0006-9000700000-0f11eb63d58330868f34
Source of Spectrum KC-0-1374-8
Synonyms 3-bromo-6,8-bis(phenylmethyl)benzo[7]annulene-1,4,7-trione 6,8-dibenzyl-3-bromo-benzocycloheptene-1,4,7-trione 6,8-dibenzyl-3-bromo-benzo[7]annulene-1,4,7-trione
Wiley ID 821527