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4,4-Diphenyl-8-(trifluoromethyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
SpectraBase Compound ID JIrUnqIHfIf
InChI InChI=1S/C24H16F3NS/c25-24(26,27)19-13-14-21-20(16-19)28-15-7-12-22(28)23(29-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChIKey LUNBJPOQNBTMJW-UHFFFAOYSA-N
Mol Weight 407.45 g/mol
Molecular Formula C24H16F3NS
Exact Mass 407.095555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JalzNy70EbW
Name 4,4-Diphenyl-8-(trifluoromethyl)-4H-pyrrolo[2,1-c][1,4]benzothiazine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16F3NS
InChI InChI=1S/C24H16F3NS/c25-24(26,27)19-13-14-21-20(16-19)28-15-7-12-22(28)23(29-21,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H
InChIKey LUNBJPOQNBTMJW-UHFFFAOYSA-N
Molecular Weight 407.454 g/mol
SMILES C1(Sc2c(-[n]3c1ccc3)cc(cc2)C(F)(F)F)(c1ccccc1)c1ccccc1
SPLASH splash10-001i-0009300000-96f357ffc116ad8402cb
Source of Spectrum E1-38-4407-23
Wiley ID 1598520