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10-Acetyl-7-[1-methyl-4-phthalimidobutylamino]-2-trifluoromethylphenothiazine

View entire compound with spectra: 1 NMR

10-Acetyl-7-[1-methyl-4-phthalimidobutylamino]-2-trifluoromethylphenothiazine
SpectraBase Compound ID 3u0KFnxKY3c
InChI InChI=1S/C28H24F3N3O3S/c1-16(6-5-13-33-26(36)20-7-3-4-8-21(20)27(33)37)32-19-10-11-22-25(15-19)38-24-12-9-18(28(29,30)31)14-23(24)34(22)17(2)35/h3-4,7-12,14-16,32H,5-6,13H2,1-2H3
InChIKey VQTAOCCUMVKZLG-UHFFFAOYSA-N
Mol Weight 539.57 g/mol
Molecular Formula C28H24F3N3O3S
Exact Mass 539.149047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6buvc8v776J
Name 10-Acetyl-7-[1-methyl-4-phthalimidobutylamino]-2-trifluoromethylphenothiazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.149047305 u
Formula C28H24F3N3O3S
InChI InChI=1S/C28H24F3N3O3S/c1-16(6-5-13-33-26(36)20-7-3-4-8-21(20)27(33)37)32-19-10-11-22-25(15-19)38-24-12-9-18(28(29,30)31)14-23(24)34(22)17(2)35/h3-4,7-12,14-16,32H,5-6,13H2,1-2H3
InChIKey VQTAOCCUMVKZLG-UHFFFAOYSA-N
Molecular Weight 539.573 g/mol
SMILES C12=C(N(C=3C(S2)=CC(=CC3)NC(CCCN2C(C=3C=CC=CC3C2=O)=O)C)C(C)=O)C=C(C=C1)C(F)(F)F