For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Thymol blue
SpectraBase Compound ID AwOPM6iOFPW
InChI InChI=1S/C27H30O5S/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6/h7-16,28H,1-6H3,(H,30,31,32)
InChIKey KCQJYHASKWHRMM-UHFFFAOYSA-N
Mol Weight 466.59 g/mol
Molecular Formula C27H30O5S
Exact Mass 466.181395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J2BhdlJtnaa
Name 6,6'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)DITHYMOL, S,S-DIOXANE
Source of Sample MCB Manufacturing Chemists, Norwood, Ohio
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O5S
InChI InChI=1S/C27H30O5S/c1-15(2)20-13-22(17(5)11-24(20)28)27(19-9-7-8-10-26(19)33(30,31)32)23-14-21(16(3)4)25(29)12-18(23)6/h7-16,28H,1-6H3,(H,30,31,32)
InChIKey KCQJYHASKWHRMM-UHFFFAOYSA-N
Melting Point 221-224C (dec.)
Molecular Weight 466.60
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms THYMOLSULFONEPHTHALEIN THYMOL BLUE O-TOLUENESULFONIC ACID, A,A-BIS/5-HYDROXYCARVACRYL/-A-HYDROXY-, gamma-SULTONE