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2-(tert-Butyl)-4,6-di(10H-phenothiazin-10-yl)phenol
SpectraBase Compound ID CBGqHr4Onnt
InChI InChI=1S/C34H28N2OS2/c1-34(2,3)23-20-22(35-24-12-4-8-16-29(24)38-30-17-9-5-13-25(30)35)21-28(33(23)37)36-26-14-6-10-18-31(26)39-32-19-11-7-15-27(32)36/h4-21,37H,1-3H3
InChIKey APPDOUDJYNOIQS-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C34H28N2OS2
Exact Mass 544.164306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5o0iDs1wUd
Name 2-(tert-Butyl)-4,6-di(10H-phenothiazin-10-yl)phenol
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.164305877 u
Formula C34H28N2OS2
InChI InChI=1S/C34H28N2OS2/c1-34(2,3)23-20-22(35-24-12-4-8-16-29(24)38-30-17-9-5-13-25(30)35)21-28(33(23)37)36-26-14-6-10-18-31(26)39-32-19-11-7-15-27(32)36/h4-21,37H,1-3H3
InChIKey APPDOUDJYNOIQS-UHFFFAOYSA-N
Instrument Name Agilent Technologies 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104292
Molecular Weight 544.731 g/mol
Quality 24
SMILES OC1=C(C(C)(C)C)C=C(C=C1N1C2=CC=CC=C2SC2=CC=CC=C12)N1C2=C(SC3=C1C=CC=C3)C=CC=C2
SPLASH splash10-0005-0500090000-8c9bbadf327263ee31fd
Source of Spectrum QE-28-SM22-8d (DOI: 10.1002/chem.202104292)
Wiley ID 1900392