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3',3'',5',5''-Tetrabromophenolphthalein
SpectraBase Compound ID JuakFi7tFqJ
InChI InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChIKey OBRGVMYQZVQHGO-UHFFFAOYSA-N
Mol Weight 633.91 g/mol
Molecular Formula C20H10Br4O4
Exact Mass 629.731261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzNxJrR2DEe
Name 3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1(3H)-one
CAS Registry Number 76-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10Br4O4
InChI InChI=1S/C20H10Br4O4/c21-13-5-9(6-14(22)17(13)25)20(10-7-15(23)18(26)16(24)8-10)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
InChIKey OBRGVMYQZVQHGO-UHFFFAOYSA-N
Molecular Weight 633.912 g/mol
SMILES Oc1c(cc(C2(c3cc(c(c(c3)Br)O)Br)OC(=O)c3c2cccc3)cc1Br)Br
SPLASH splash10-0w2i-5953030000-96c5f03bca91a9cf730c
Source of Spectrum W5-0-0-0
Synonyms 3',3'',5',5''-Tetrabromophenolphthalein 3,3-bis(3,5-dibromo-4-hydroxy-phenyl)isobenzofuran-1-one 3,3-bis(3,5-dibromo-4-hydroxy-phenyl)phthalide 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-1(3H)-isobenzofuranone 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-1-isobenzofuranone 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one 3,3-bis[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-benzofuran-1-one Phenolphthalein, 3',3'',5',5''-tetrabromo- Tetrabromophenolphthalein EINECS 200-974-9 NSC 21261
Wiley ID 1412068