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(3aS,4R,7aR)-2-Benzyl-7-oxo-3a-trifluoromethyl-octahydro-isoindole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 9UfSXwpFixz
InChI InChI=1S/C19H22F3NO3/c1-2-26-17(25)14-8-9-16(24)15-11-23(10-13-6-4-3-5-7-13)12-18(14,15)19(20,21)22/h3-7,14-15H,2,8-12H2,1H3/t14-,15+,18+/m0/s1
InChIKey RVWSVMDEWVOOEN-HDMKZQKVSA-N
Mol Weight 369.38 g/mol
Molecular Formula C19H22F3NO3
Exact Mass 369.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HrC0ICYLkdd
Name (3aS,4R,7aR)-2-Benzyl-7-oxo-3a-trifluoromethyl-octahydro-isoindole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22F3NO3
InChI InChI=1S/C19H22F3NO3/c1-2-26-17(25)14-8-9-16(24)15-11-23(10-13-6-4-3-5-7-13)12-18(14,15)19(20,21)22/h3-7,14-15H,2,8-12H2,1H3/t14-,15+,18+/m0/s1
InChIKey RVWSVMDEWVOOEN-HDMKZQKVSA-N
Molecular Weight 369.384 g/mol
SMILES [C@@]12([C@@](C(=O)CC[C@]2(C(=O)OCC)[H])(CN(C1)Cc1ccccc1)[H])C(F)(F)F
SPLASH splash10-000x-9611000000-3b40117d32f1d01b7bbe
Source of Spectrum F-52-68-16
Synonyms Ethyl (3aS,4R,7aR)-2-benzyl-7-oxo-3a-(trifluoromethyl)octahydro-1H-isoindole-4-carboxylate Ethyl N-Benzyl-8-trifluoromethylperhydroisoindolon-4-one-7-carboxylate
Wiley ID 794636