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Benzeneacetic acid, 3,4-bis(phenylmethoxy)-.alpha.-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy)-, methyl ester, [R-(R*,S*)]-
SpectraBase Compound ID L5O361jzP8j
InChI InChI=1S/C33H29F3O7/c1-39-30(37)29(43-31(38)32(40-2,33(34,35)36)26-16-10-5-11-17-26)25-18-19-27(41-21-23-12-6-3-7-13-23)28(20-25)42-22-24-14-8-4-9-15-24/h3-20,29H,21-22H2,1-2H3/t29-,32+/m0/s1
InChIKey JIVXHUXLIUTQQV-BHDXBOSCSA-N
Mol Weight 594.6 g/mol
Molecular Formula C33H29F3O7
Exact Mass 594.186538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dozs6hAZNX
Name Benzeneacetic acid, 3,4-bis(phenylmethoxy)-.alpha.-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy)-, methyl ester, [R-(R*,S*)]-
CAS Registry Number 118958-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H29F3O7
InChI InChI=1S/C33H29F3O7/c1-39-30(37)29(43-31(38)32(40-2,33(34,35)36)26-16-10-5-11-17-26)25-18-19-27(41-21-23-12-6-3-7-13-23)28(20-25)42-22-24-14-8-4-9-15-24/h3-20,29H,21-22H2,1-2H3/t29-,32+/m0/s1
InChIKey JIVXHUXLIUTQQV-BHDXBOSCSA-N
Molecular Weight 594.583 g/mol
SMILES [C@@](C(O[C@@](c1cc(OCc2ccccc2)c(cc1)OCc1ccccc1)(C(=O)OC)[H])=O)(C(F)(F)F)(c1ccccc1)OC
SPLASH splash10-0006-9000000000-ba0b128a168307a5698a
Source of Spectrum H-71-329-1
Synonyms (1S)-1-[3,4-bis(benzyloxy)phenyl]-2-methoxy-2-oxoethyl (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate (R)-[3,4-bis(benzyloxy)-.alpha.-(methoxycarbonyl)benzyl (S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID 1409643