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(4aR,8aS)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine

Compound with spectra: 1 NMR

(4aR,8aS)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine
SpectraBase Compound ID 5OBVz9GUUVs
InChI InChI=1S/C15H18F3NO/c16-15(17,18)12-6-3-5-10(8-12)14-19-9-11-4-1-2-7-13(11)20-14/h3,5-6,8,11,13-14,19H,1-2,4,7,9H2/t11-,13+,14?/m1/s1
InChIKey AQFSJQGYIWGTAG-LXKBMQFRSA-N
Mol Weight 285.31 g/mol
Molecular Formula C15H18F3NO
Exact Mass 285.134049 g/mol
Enantiomer InChIKey AQFSJQGYIWGTAG-MKDGSZCOSA-N

View Spectrum of (4aR,8aS)-2-[3-(trifluoromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[e][1,3]oxazine

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3;0.2M
MFYJVELMYYNHBY-LXKBMQFRSA-N
N-Methyl-2-(4-nitro-phenyl)-5,6-(E)-tetramethylene-tetrahydro-1,3-oxazine
WPQCIGQJHXAJRM-MGPQQGTHSA-N
(2S,4aR,8aR)-2-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4a-ol
(2S,4aR,8aR)-2-(4-chlorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4a-ol
DQBKSVIJUMHZBC-MGPQQGTHSA-N
JTZLEHPQAVWOLJ-RBSFLKMASA-N
1-(3'-trifluoromethylphenyl)-1,2-bis(trifluoroacetoxy)-2-methylethane
2-(3'-FLUOROPHENYL)-2-(4''-TOLUENE)-SULFONYLAMINOPROPANONE
[2R*-[2-ALPHA-(S*),1''-BETA,2''-BETA]]-2-[(2''-HYDROXYCYCLOHEXYLOXY)-(PHENYL)-METHYL]-CYCLOHEXAN-1-ONE
Title Journal or Book Year
Substituent Influences on the Stability of the Ring and Chain Tautomers in 1,3-O,N-Heterocyclic Systems:  Characterization by 13C NMR Chemical Shifts, PM3 Charge Densities, and Isodesmic Reactions The Journal of Organic Chemistry 2001
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