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cycloocta[b]thiophene-3-carboxylic acid, 4,5,6,7,8,9-hexahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, methyl ester
SpectraBase Compound ID 33NFgjjlaQx
InChI InChI=1S/C20H20F3NO3S/c1-27-19(26)16-14-9-4-2-3-5-10-15(14)28-18(16)24-17(25)12-7-6-8-13(11-12)20(21,22)23/h6-8,11H,2-5,9-10H2,1H3,(H,24,25)
InChIKey HOHVSUTYABGLIK-UHFFFAOYSA-N
Mol Weight 411.44 g/mol
Molecular Formula C20H20F3NO3S
Exact Mass 411.111599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jdnIT8dzQo
Name 2-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester
Alternate Name(s) Methyl 2-[[3-(trifluoromethyl)benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Methyl 2-[[3-(trifluoromethyl)phenyl]carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
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Formula C20H20F3NO3S
InChI InChI=1S/C20H20F3NO3S/c1-27-19(26)16-14-9-4-2-3-5-10-15(14)28-18(16)24-17(25)12-7-6-8-13(11-12)20(21,22)23/h6-8,11H,2-5,9-10H2,1H3,(H,24,25)
InChIKey HOHVSUTYABGLIK-UHFFFAOYSA-N
Molecular Weight 411.439 g/mol
SMILES N(c1c(c2CCCCCCc2s1)C(=O)OC)C(c1cc(C(F)(F)F)ccc1)=O
SPLASH splash10-00dj-3903100000-eba8c3b04937e33992af
Wiley ID 1439166