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10-(3-methoxybenzoyl)-2-(trifluoromethyl)-10H-phenothiazine

View entire compound with spectra: 2 NMR

10-(3-methoxybenzoyl)-2-(trifluoromethyl)-10H-phenothiazine
SpectraBase Compound ID K6UtNryrRjA
InChI InChI=1S/C21H14F3NO2S/c1-27-15-6-4-5-13(11-15)20(26)25-16-7-2-3-8-18(16)28-19-10-9-14(12-17(19)25)21(22,23)24/h2-12H,1H3
InChIKey HKXHAQCGYTUARZ-UHFFFAOYSA-N
Mol Weight 401.4 g/mol
Molecular Formula C21H14F3NO2S
Exact Mass 401.069734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K96NetBnhtp
Name 10-(3-Methoxybenzoyl)-2-(trifluoromethyl)-10H-phenothiazine
Comments Computed using HOSE algorithm
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Exact Mass 401.069734356 u
Formula C21H14F3NO2S
InChI InChI=1S/C21H14F3NO2S/c1-27-15-6-4-5-13(11-15)20(26)25-16-7-2-3-8-18(16)28-19-10-9-14(12-17(19)25)21(22,23)24/h2-12H,1H3
InChIKey HKXHAQCGYTUARZ-UHFFFAOYSA-N
Molecular Weight 401.403 g/mol
SMILES C=1C=CC=2N(C3=C(C=CC(C(F)(F)F)=C3)SC2C1)C(C1=CC(OC)=CC=C1)=O