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Bromocresol green
SpectraBase Compound ID HNppLNB5eme
InChI InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
InChIKey FRPHFZCDPYBUAU-UHFFFAOYSA-N
Mol Weight 698.01 g/mol
Molecular Formula C21H14Br4O5S
Exact Mass 693.729547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Upm97z14W0
Name 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS[2,6-DIBROMO-m-CRESOL],S,S-DIOXIDE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 76-60-8
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14Br4O5S
InChI InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3
InChIKey FRPHFZCDPYBUAU-UHFFFAOYSA-N
Molecular Weight 698.04
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BROMCRESOL GREEN O-TOLUENESULFONIC ACID, A,A-BIS/3,5-DIBROMO-4-HYDROXY-O-TOLYL/-A-HYDROXY-, gamma-SULTONE BROMOCRESOL GREEN