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2-Oxo-3-(R)-phenyl-octahydro-indene-4-carboxylic acid trifluoromethyl ester
SpectraBase Compound ID AtDmkEi9TU9
InChI InChI=1S/C17H17F3O3/c18-17(19,20)23-16(22)12-8-4-7-11-9-13(21)15(14(11)12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14-15H,4,7-9H2/t11-,12+,14+,15-/m1/s1
InChIKey ASRKRUKEEKYBJN-PAPYEOQZSA-N
Mol Weight 326.32 g/mol
Molecular Formula C17H17F3O3
Exact Mass 326.112979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKo21jbbMLl
Name 2-Oxo-3-(R)-phenyl-octahydro-indene-4-carboxylic acid trifluoromethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3O3
InChI InChI=1S/C17H17F3O3/c18-17(19,20)23-16(22)12-8-4-7-11-9-13(21)15(14(11)12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14-15H,4,7-9H2/t11-,12+,14+,15-/m1/s1
InChIKey ASRKRUKEEKYBJN-PAPYEOQZSA-N
Molecular Weight 326.315 g/mol
SMILES [C@]12([C@@](C(=O)C[C@]2(CCC[C@@]1(C(OC(F)(F)F)=O)[H])[H])(c1ccccc1)[H])[H]
SPLASH splash10-05po-9500000000-25dcef47e903be258b6a
Source of Spectrum F-55-858-28
Wiley ID 836587