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cis-4-Triifluoromethyl-4-(3-acetylphenyl)amino-5-ethoxycarbonyl-1,3-dioxane
SpectraBase Compound ID 3Kealj4FvQt
InChI InChI=1S/C16H18F3NO5/c1-3-24-14(22)13-8-23-9-25-15(13,16(17,18)19)20-12-6-4-5-11(7-12)10(2)21/h4-7,13,20H,3,8-9H2,1-2H3/t13-,15+/m1/s1
InChIKey AHZQCEHTKPBVPI-HIFRSBDPSA-N
Mol Weight 361.32 g/mol
Molecular Formula C16H18F3NO5
Exact Mass 361.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53519ANFjpD
Name cis-4-Triifluoromethyl-4-(3-acetylphenyl)amino-5-ethoxycarbonyl-1,3-dioxane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3NO5
InChI InChI=1S/C16H18F3NO5/c1-3-24-14(22)13-8-23-9-25-15(13,16(17,18)19)20-12-6-4-5-11(7-12)10(2)21/h4-7,13,20H,3,8-9H2,1-2H3/t13-,15+/m1/s1
InChIKey AHZQCEHTKPBVPI-HIFRSBDPSA-N
Molecular Weight 361.317 g/mol
SMILES N([C@]1([C@@](C(=O)OCC)(COCO1)[H])C(F)(F)F)c1cc(C(=O)C)ccc1
SPLASH splash10-0002-0943000000-f401c70678beaea67808
Source of Spectrum F-70-3805-3
Synonyms Ethyl (4S,5S)-4-(3-acetylanilino)-4-(trifluoromethyl)-1,3-dioxane-5-carboxylate Ethyl (4S,5S)-4-[(3-ethanoylphenyl)amino]-4-(trifluoromethyl)-1,3-dioxane-5-carboxylate
Wiley ID 1596842