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Bromocresol purple

View entire compound with spectra: 3 NMR, 6 FTIR, 2 Raman, and 1 MS (GC)

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

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID IYbDX4OnZb0
Name Bromocresol Purple
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number B5880
Lot Number 067K3733
CAS Registry Number 115-40-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Solvent Nujol
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 5,5'-Dibromo-o-cresolsulfonphthalein; Bromcresol purple sultone form
Technique Mull
Wiley ID SIAL_FF-FTIR_000057