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1-(N-Phenylimine)-5-phenyl-3-(4-trifluoromethylphenyl)-1,2-thiazine
SpectraBase Compound ID 1BnZRQhFKyW
InChI InChI=1S/C29H21F3N2S/c30-29(31,32)25-18-16-23(17-19-25)28-20-24(22-10-4-1-5-11-22)21-35(34-28,27-14-8-3-9-15-27)33-26-12-6-2-7-13-26/h1-21H
InChIKey IDNWQBLUUACBNR-UHFFFAOYSA-N
Mol Weight 486.56 g/mol
Molecular Formula C29H21F3N2S
Exact Mass 486.137754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UBBd1UCA3C
Name 1-(N-Phenylimine)-5-phenyl-3-(4-trifluoromethylphenyl)-1,2-thiazine
Appearance Brown oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.137754347 u
Formula C29H21F3N2S
InChI InChI=1S/C29H21F3N2S/c30-29(31,32)25-18-16-23(17-19-25)28-20-24(22-10-4-1-5-11-22)21-35(34-28,27-14-8-3-9-15-27)33-26-12-6-2-7-13-26/h1-21H
InChIKey IDNWQBLUUACBNR-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201600725
Molecular Weight 486.556 g/mol
Quality 153
Reported Formula C29H21N2F3S
SMILES C=1(N=S(C=C(C1)C=1C=CC=CC1)(=NC=1C=CC=CC1)C1=CC=CC=C1)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-016r-0009100000-12a7a3e48f78ce19948d
Source of Spectrum QE-22-SM19-5j (DOI: 10.1002/chem.201600725)
Wiley ID 1903281