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N-(2-{2-[(3,4-dimethylphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide
SpectraBase Compound ID JxUsiPfM0Dy
InChI InChI=1S/C27H28F6N2O3/c1-15-9-10-18(11-16(15)2)34-20-13-24(3,4)14-21(36)22(20)25(26(28,29)30,27(31,32)33)35-23(37)17-7-6-8-19(12-17)38-5/h6-12,34H,13-14H2,1-5H3,(H,35,37)
InChIKey HRDPIDFCUQDZEX-UHFFFAOYSA-N
Mol Weight 542.52 g/mol
Molecular Formula C27H28F6N2O3
Exact Mass 542.200412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRVZjc5fM0
Name N-(2-{2-[(3,4-dimethylphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide
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Formula C27H28F6N2O3
InChI InChI=1S/C27H28F6N2O3/c1-15-9-10-18(11-16(15)2)34-20-13-24(3,4)14-21(36)22(20)25(26(28,29)30,27(31,32)33)35-23(37)17-7-6-8-19(12-17)38-5/h6-12,34H,13-14H2,1-5H3,(H,35,37)
InChIKey HRDPIDFCUQDZEX-UHFFFAOYSA-N
Molecular Weight 542.522 g/mol
SMILES N(C(C=1C(CC(CC1Nc1cc(c(cc1)C)C)(C)C)=O)(C(F)(F)F)C(F)(F)F)C(c1cc(ccc1)OC)=O
SPLASH splash10-000i-2954010000-10ec843f67b593f2287c
Source of Spectrum IY-2-5048-9
Synonyms N-[2-[2-(3,4-dimethylanilino)-4,4-dimethyl-6-oxo-1-cyclohexenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-methoxybenzamide N-[2-[2-(3,4-dimethylanilino)-4,4-dimethyl-6-oxocyclohexen-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-methoxybenzamide N-[1-[2-(3,4-dimethylanilino)-4,4-dimethyl-6-oxo-cyclohexen-1-yl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-3-methoxy-benzamide N-[2-[2-[(3,4-dimethylphenyl)amino]-4,4-dimethyl-6-oxidanylidene-cyclohexen-1-yl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-3-methoxy-benzamide
Wiley ID 1658472