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Bromocresol purple
SpectraBase Compound ID FakTC1RNMUy
InChI InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
InChIKey ABIUHPWEYMSGSR-UHFFFAOYSA-N
Mol Weight 540.22 g/mol
Molecular Formula C21H16Br2O5S
Exact Mass 537.908521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rbPCRIv322
Name Bromcresol purple
CAS Registry Number 115-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16Br2O5S
InChI InChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
InChIKey ABIUHPWEYMSGSR-UHFFFAOYSA-N
Molecular Weight 540.222 g/mol
SMILES Oc1c(cc(C2(c3cc(c(c(c3)C)O)Br)c3ccccc3S(=O)(=O)O2)cc1C)Br
SPLASH splash10-001i-8659330000-f61edf92c12c9f40edc9
Source of Spectrum W5-37199-28337-28337
Synonyms Bromo-cresol purple Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl- 2-Bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methylphenol 2-Bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methyl-phenol 2-Bromanyl-4-[3-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]-6-methyl-phenol EINECS 204-087-8 NSC 374134
Wiley ID 1404254