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Bromophenol Blue
SpectraBase Compound ID G4Uz3IsDNIc
InChI InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey UDSAIICHUKSCKT-UHFFFAOYSA-N
Mol Weight 669.96 g/mol
Molecular Formula C19H10Br4O5S
Exact Mass 665.698247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdPZy1IF0n7
Name Bromphenol blue
CAS Registry Number 115-39-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H10Br4O5S
InChI InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey UDSAIICHUKSCKT-UHFFFAOYSA-N
Molecular Weight 669.960 g/mol
SMILES Oc1c(cc(C2(c3cc(c(c(c3)Br)O)Br)OS(c3c2cccc3)(=O)=O)cc1Br)Br
SPLASH splash10-0bt9-5641392000-5abefae9026c9bfe5e13
Source of Spectrum JS-1986-1-0
Synonyms 3',3'',5',5''-Tetrabromophenolsulfonephthalein 3,3',5,5'-Tetrabromophenolsulfonphthalein Albutest Bromophenol blue Bromophenol blue indicator Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide Tetrabromophenol blue Tetrabromophenolsulfonphthalein Tetrabromphenol Blue 2,6-Dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol 2,6-Dibromo-4-[3-(3,5-dibromo-4-hydroxy-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol 4-[3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-2,6-bis(bromanyl)phenol
Wiley ID 1413751