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2,5-diphenyl-3-(p-styrylphenyl)-2H-tetrazolium chloride, hydrate
SpectraBase Compound ID 1t3m0RL6RsO
InChI InChI=1S/C27H21N4.ClH.H2O/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25;;/h1-21H;1H;1H2/q+1;;/p-1
InChIKey DSLBOVGEDWRQAQ-UHFFFAOYSA-M
Mol Weight 454.961 g/mol
Molecular Formula C27H23ClN4O
Exact Mass 454.156039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2miKjp4IuZk
Name 2,5-DIPHENYL-3-(p-STYRYLPHENYL)-2H-TETRAZOLIUM CHLORIDE, HYDRATE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21ClN4 H2O
InChI InChI=1S/C27H21N4.ClH.H2O/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25;;/h1-21H;1H;1H2/q+1;;/p-1
InChIKey DSLBOVGEDWRQAQ-UHFFFAOYSA-M
Molecular Weight 454.96
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2H-TETRAZOLIUM CHLORIDE, 2,5-DIPHENYL- 3-/P-STYRYLPHENYL/-, HYDRATE