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Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, 1-(2-methoxy-2-oxoethyl)hexyl ester, [R-(R*,R*)]-
SpectraBase Compound ID GkUEg4p7p2e
InChI InChI=1S/C19H25F3O5/c1-4-5-7-12-15(13-16(23)25-2)27-17(24)18(26-3,19(20,21)22)14-10-8-6-9-11-14/h6,8-11,15H,4-5,7,12-13H2,1-3H3/t15-,18?/m1/s1
InChIKey IJYZYNXZMAMFPY-NNJIEVJOSA-N
Mol Weight 390.4 g/mol
Molecular Formula C19H25F3O5
Exact Mass 390.165408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EmXkvE11Pf0
Name Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, 1-(2-methoxy-2-oxoethyl)hexyl ester, [R-(R*,R*)]-
CAS Registry Number 115482-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25F3O5
InChI InChI=1S/C19H25F3O5/c1-4-5-7-12-15(13-16(23)25-2)27-17(24)18(26-3,19(20,21)22)14-10-8-6-9-11-14/h6,8-11,15H,4-5,7,12-13H2,1-3H3/t15-,18?/m1/s1
InChIKey IJYZYNXZMAMFPY-NNJIEVJOSA-N
Molecular Weight 390.399 g/mol
SMILES C(C(O[C@@](CC(=O)OC)(CCCCC)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-0a71-8900000000-b638ad6acc1087d68975
Source of Spectrum C-110-6217-0
Synonyms Methyl (3R)-3-[(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy]octanoate
Wiley ID 1364676