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(R*,R*)-(2-Pentyl)cyclopentanemethyl (R)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetate
SpectraBase Compound ID EGSi5mcaUKl
InChI InChI=1S/C21H29F3O3/c1-3-4-6-10-16-11-9-12-17(16)15-27-19(25)20(26-2,21(22,23)24)18-13-7-5-8-14-18/h5,7-8,13-14,16-17H,3-4,6,9-12,15H2,1-2H3/t16-,17-,20+/m1/s1
InChIKey XUXSATDCUJCTKF-HLIPFELVSA-N
Mol Weight 386.46 g/mol
Molecular Formula C21H29F3O3
Exact Mass 386.206879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8bT5UpyB7VS
Name (R*,R*)-(2-Pentyl)cyclopentanemethyl (R)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetate
Alternate Name(s) phenyl (2R)-3,3,3-trifluoro-2-methoxy-2-{[(1R,2R)-2-pentylcyclopentyl]methyl}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29F3O3
InChI InChI=1S/C21H29F3O3/c1-3-4-6-10-16-11-9-12-17(16)15-27-19(25)20(26-2,21(22,23)24)18-13-7-5-8-14-18/h5,7-8,13-14,16-17H,3-4,6,9-12,15H2,1-2H3/t16-,17-,20+/m1/s1
InChIKey XUXSATDCUJCTKF-HLIPFELVSA-N
Molecular Weight 386.455 g/mol
SMILES [C@@](C(F)(F)F)(C(OC[C@@]1([C@@](CCC1)(CCCCC)[H])[H])=O)(c1ccccc1)OC
SPLASH splash10-0aps-9300000000-dbec57c6f618b30ac907
Source of Spectrum J-63-3720-9
Wiley ID 1362641