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(phenylmethyl) 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate
SpectraBase Compound ID IbArfmBXk7u
InChI InChI=1S/C19H25F3NO5P/c1-3-27-29(25,28-4-2)18(19(20,21)22)13-9-6-10-14-23(18)17(24)26-15-16-11-7-5-8-12-16/h5-8,10-12H,3-4,9,13-15H2,1-2H3
InChIKey VDHTVKHGVAAFJY-UHFFFAOYSA-N
Mol Weight 435.38 g/mol
Molecular Formula C19H25F3NO5P
Exact Mass 435.142244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EP5YNwVCech
Name (phenylmethyl) 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate
Alternate Name(s) 7-Diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylic acid (phenylmethyl) ester 7-Diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylic acid benzyl ester benzyl 7-diethoxyphosphoryl-7-(trifluoromethyl)-5,6-dihydro-2H-azepine-1-carboxylate
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Formula C19H25F3NO5P
InChI InChI=1S/C19H25F3NO5P/c1-3-27-29(25,28-4-2)18(19(20,21)22)13-9-6-10-14-23(18)17(24)26-15-16-11-7-5-8-12-16/h5-8,10-12H,3-4,9,13-15H2,1-2H3
InChIKey VDHTVKHGVAAFJY-UHFFFAOYSA-N
Molecular Weight 435.380 g/mol
SMILES C1C(N(CC=CC1)C(OCc1ccccc1)=O)(P(OCC)(=O)OCC)C(F)(F)F
SPLASH splash10-0006-9400000000-3d6104159287d8ba9b94
Wiley ID 1464829