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2-Oxo-1-phenyl-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Oxo-1-phenyl-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl acetate
SpectraBase Compound ID fpPJw4NOZf
InChI InChI=1S/C23H16F3NO3S/c1-14(28)30-21(15-7-3-2-4-8-15)22(29)27-17-9-5-6-10-19(17)31-20-12-11-16(13-18(20)27)23(24,25)26/h2-13,21H,1H3
InChIKey JEBRDMJUKDSQIY-UHFFFAOYSA-N
Mol Weight 443.44 g/mol
Molecular Formula C23H16F3NO3S
Exact Mass 443.080299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kMpyOabxnK
Name 2-oxo-1-Phenyl-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.080299039 u
Formula C23H16F3NO3S
InChI InChI=1S/C23H16F3NO3S/c1-14(28)30-21(15-7-3-2-4-8-15)22(29)27-17-9-5-6-10-19(17)31-20-12-11-16(13-18(20)27)23(24,25)26/h2-13,21H,1H3
InChIKey JEBRDMJUKDSQIY-UHFFFAOYSA-N
Molecular Weight 443.440 g/mol
SMILES C=1C=CC(C(C(N2C3=C(C=CC(C(F)(F)F)=C3)SC3=C2C=CC=C3)=O)OC(=O)C)=CC1